1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole

C226H140B6N10O12 — CID 157318740

IUPAC1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole
SMILESCn1c2c(-c3cc4c5c(c3)Oc3ccccc3B5c3ccccc3O4)cccc2c2cccc(-c3cc4c5c(c3)Oc3ccccc3B5c3ccccc3O4)c21.Cn1c2c(-c3ccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)cc3)cccc2c2cccc(-c3ccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)cc3)c21.Cn1c2c(-c3cccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c3)cccc2c2cccc(-c3cccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c3)c21.Cn1c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21
InChIInChI=1S/2C61H37B2NO4.C55H37N7.C49H29B2NO4/c1-64-60-42(38-16-10-14-36(30-38)40-32-54-58-55(33-40)66-51-27-7-3-23-47(51)62(58)46-22-2-6-26-50(46)65-54)18-12-20-44(60)45-21-13-19-43(61(45)64)39-17-11-15-37(31-39)41-34-56-59-57(35-41)68-53-29-9-5-25-49(53)63(59)48-24-4-8-28-52(48)67-56;1-64-60-42(38-28-24-36(25-29-38)40-32-54-58-55(33-40)66-51-21-7-3-17-47(51)62(58)46-16-2-6-20-50(46)65-54)12-10-14-44(60)45-15-11-13-43(61(45)64)39-30-26-37(27-31-39)41-34-56-59-57(35-41)68-53-23-9-5-19-49(53)63(59)48-18-4-8-22-52(48)67-56;1-62-48-44(40-26-14-28-42(34-40)54-58-50(36-18-6-2-7-19-36)56-51(59-54)37-20-8-3-9-21-37)30-16-32-46(48)47-33-17-31-45(49(47)62)41-27-15-29-43(35-41)55-60-52(38-22-10-4-11-23-38)57-53(61-55)39-24-12-5-13-25-39;1-52-48-30(28-24-42-46-43(25-28)54-39-21-7-3-17-35(39)50(46)34-16-2-6-20-38(34)53-42)12-10-14-32(48)33-15-11-13-31(49(33)52)29-26-44-47-45(27-29)56-41-23-9-5-19-37(41)51(47)36-18-4-8-22-40(36)55-44/h2*2-35H,1H3;2-35H,1H3;2-27H,1H3
InChIKeyBDXJGDMRTCTAIN-UHFFFAOYSA-N
MW3252.54 g/mol
LogP44.07
Rot. Bonds18

About 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole

1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole (PubChem CID 157318740) has the molecular formula C226H140B6N10O12 and a molecular weight of 3252.54 g/mol. Its IUPAC name is 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole.

Molecular Properties

Compound Name1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole
PubChem CID157318740
Molecular FormulaC226H140B6N10O12
Molecular Weight3252.54 g/mol
Exact Mass3251.12
IUPAC Name1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole
SMILESCn1c2c(-c3cc4c5c(c3)Oc3ccccc3B5c3ccccc3O4)cccc2c2cccc(-c3cc4c5c(c3)Oc3ccccc3B5c3ccccc3O4)c21.Cn1c2c(-c3ccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)cc3)cccc2c2cccc(-c3ccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)cc3)c21.Cn1c2c(-c3cccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c3)cccc2c2cccc(-c3cccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c3)c21.Cn1c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21
InChIInChI=1S/2C61H37B2NO4.C55H37N7.C49H29B2NO4/c1-64-60-42(38-16-10-14-36(30-38)40-32-54-58-55(33-40)66-51-27-7-3-23-47(51)62(58)46-22-2-6-26-50(46)65-54)18-12-20-44(60)45-21-13-19-43(61(45)64)39-17-11-15-37(31-39)41-34-56-59-57(35-41)68-53-29-9-5-25-49(53)63(59)48-24-4-8-28-52(48)67-56;1-64-60-42(38-28-24-36(25-29-38)40-32-54-58-55(33-40)66-51-21-7-3-17-47(51)62(58)46-16-2-6-20-50(46)65-54)12-10-14-44(60)45-15-11-13-43(61(45)64)39-30-26-37(27-31-39)41-34-56-59-57(35-41)68-53-23-9-5-19-49(53)63(59)48-18-4-8-22-52(48)67-56;1-62-48-44(40-26-14-28-42(34-40)54-58-50(36-18-6-2-7-19-36)56-51(59-54)37-20-8-3-9-21-37)30-16-32-46(48)47-33-17-31-45(49(47)62)41-27-15-29-43(35-41)55-60-52(38-22-10-4-11-23-38)57-53(61-55)39-24-12-5-13-25-39;1-52-48-30(28-24-42-46-43(25-28)54-39-21-7-3-17-35(39)50(46)34-16-2-6-20-38(34)53-42)12-10-14-32(48)33-15-11-13-31(49(33)52)29-26-44-47-45(27-29)56-41-23-9-5-19-37(41)51(47)36-18-4-8-22-40(36)55-44/h2*2-35H,1H3;2-35H,1H3;2-27H,1H3
InChIKeyBDXJGDMRTCTAIN-UHFFFAOYSA-N
XLogP44.07
TPSA207.82 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003252.54
LogP ≤ 544.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole with MolForge

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Related Compounds

2-[3-[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 153293342
2-[4-[8-[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158315873
1,8-bis[2-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-phenylcarbazole;1,8-bis[2-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-3,6,9-triphenylcarbazole;1,8-bis[2-(3,5-diphenylphenyl)phenyl]-9-methylcarbazole
CID 158623894
1,8-bis[3-(3,5-diphenylphenyl)phenyl]-9-methylcarbazole;1,8-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole;10-[3-[9-methyl-8-(3-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine;10-[4-[9-methyl-8-(4-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine
CID 157430617
11-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 153293280
2-[9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163888577
2-[8-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9H-fluoren-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 159756891
11-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 154590860
11-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 153293300
11-[4-(10-phenylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158344180
11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 162130009
6-[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-11-oxa-1-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 168762878

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole?
The IUPAC name of 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole (CID 157318740) is 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole.
What is the SMILES notation for 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole?
The canonical SMILES for 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole is Cn1c2c(-c3cc4c5c(c3)Oc3ccccc3B5c3ccccc3O4)cccc2c2cccc(-c3cc4c5c(c3)Oc3ccccc3B5c3ccccc3O4)c21.Cn1c2c(-c3ccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)cc3)cccc2c2cccc(-c3ccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)cc3)c21.Cn1c2c(-c3cccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c3)cccc2c2cccc(-c3cccc(-c4cc5c6c(c4)Oc4ccccc4B6c4ccccc4O5)c3)c21.Cn1c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c21.
What is the InChIKey of 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole?
The InChIKey is BDXJGDMRTCTAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H37B2NO4.C55H37N7.C49H29B2NO4/c1-64-60-42(38-16-10-14-36(30-38)40-32-54-58-55(33-40)66-51-27-7-3-23-47(51)62(58)46-22-2-6-26-50(46)65-54)18-12-20-44(60)45-21-13-19-43(61(45)64)39-17-11-15-37(31-39)41-34-56-59-57(35-41)68-53-29-9-5-25-49(53)63(59)48-24-4-8-28-52(48)67-56;1-64-60-42(38-28-24-36(25-29-38)40-32-54-58-55(33-40)66-51-21-7-3-17-47(51)62(58)46-16-2-6-20-50(46)65-54)12-10-14-44(60)45-15-11-13-43(61(45)64)39-30-26-37(27-31-39)41-34-56-59-57(35-41)68-53-23-9-5-19-49(53)63(59)48-18-4-8-22-52(48)67-56;1-62-48-44(40-26-14-28-42(34-40)54-58-50(36-18-6-2-7-19-36)56-51(59-54)37-20-8-3-9-21-37)30-16-32-46(48)47-33-17-31-45(49(47)62)41-27-15-29-43(35-41)55-60-52(38-22-10-4-11-23-38)57-53(61-55)39-24-12-5-13-25-39;1-52-48-30(28-24-42-46-43(25-28)54-39-21-7-3-17-35(39)50(46)34-16-2-6-20-38(34)53-42)12-10-14-32(48)33-15-11-13-31(49(33)52)29-26-44-47-45(27-29)56-41-23-9-5-19-37(41)51(47)36-18-4-8-22-40(36)55-44/h2*2-35H,1H3;2-35H,1H3;2-27H,1H3.
What are the key properties of 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole?
1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole has a molecular weight of 3252.54 g/mol, XLogP of 44.07, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-9-methylcarbazole;1,8-bis[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-methylcarbazole;1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole is sourced from PubChem (CID 157318740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).