3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole

C55H34BNO2 — CID 160599966

IUPAC3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4Cc4c(-c6ccc(-c7cc8c9c(c7)Oc7ccccc7B9c7ccccc7O8)cc6)cccc4-5)ccc32)cc1
InChIInChI=1S/C55H34BNO2/c1-2-12-38(13-3-1)57-49-21-7-4-14-43(49)46-30-36(28-29-50(46)57)40-16-11-18-42-41-17-10-15-39(44(41)33-45(40)42)35-26-24-34(25-27-35)37-31-53-55-54(32-37)59-52-23-9-6-20-48(52)56(55)47-19-5-8-22-51(47)58-53/h1-32H,33H2
InChIKeyFRYCEGYVKWAQIK-UHFFFAOYSA-N
MW751.69 g/mol
LogP12.08
Rot. Bonds4

About 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole

3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole (PubChem CID 160599966) has the molecular formula C55H34BNO2 and a molecular weight of 751.69 g/mol. Its IUPAC name is 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole
PubChem CID160599966
Molecular FormulaC55H34BNO2
Molecular Weight751.69 g/mol
Exact Mass751.27
IUPAC Name3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4Cc4c(-c6ccc(-c7cc8c9c(c7)Oc7ccccc7B9c7ccccc7O8)cc6)cccc4-5)ccc32)cc1
InChIInChI=1S/C55H34BNO2/c1-2-12-38(13-3-1)57-49-21-7-4-14-43(49)46-30-36(28-29-50(46)57)40-16-11-18-42-41-17-10-15-39(44(41)33-45(40)42)35-26-24-34(25-27-35)37-31-53-55-54(32-37)59-52-23-9-6-20-48(52)56(55)47-19-5-8-22-51(47)58-53/h1-32H,33H2
InChIKeyFRYCEGYVKWAQIK-UHFFFAOYSA-N
XLogP12.08
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.69
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole with MolForge

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Related Compounds

3-[9-[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]carbazol-3-yl]-9-phenylcarbazole
CID 157229126
3-[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)carbazol-3-yl]-9-phenylcarbazole
CID 123773777
9-[4-(11-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]carbazole
CID 123573713
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)-9-phenylcarbazole;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)-9-phenylcarbazole;4,18-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;5,17-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 159745329
14-(2,6-diphenylphenyl)-11-(9-phenylcarbazol-3-yl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169038257
9-[4-(20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27,29,31-pentadecaen-23-yl)phenyl]carbazole
CID 144878930
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
9-[4-[5,17-bis(2-methylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]phenyl]carbazole
CID 146861203
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)-3-(10-phenylanthracen-9-yl)carbazole
CID 171783235
18-(4-carbazol-9-ylphenyl)-11,25-diphenyl-15,21-dioxa-11,25-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16,18,20(35),22,24(32),26,28,30,33-pentadecaene
CID 144879554
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
9-[3-(4,18-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]carbazole
CID 144878708

Frequently Asked Questions

What is the IUPAC name of 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole (CID 160599966) is 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4Cc4c(-c6ccc(-c7cc8c9c(c7)Oc7ccccc7B9c7ccccc7O8)cc6)cccc4-5)ccc32)cc1.
What is the InChIKey of 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole?
The InChIKey is FRYCEGYVKWAQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34BNO2/c1-2-12-38(13-3-1)57-49-21-7-4-14-43(49)46-30-36(28-29-50(46)57)40-16-11-18-42-41-17-10-15-39(44(41)33-45(40)42)35-26-24-34(25-27-35)37-31-53-55-54(32-37)59-52-23-9-6-20-48(52)56(55)47-19-5-8-22-51(47)58-53/h1-32H,33H2.
What are the key properties of 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole?
3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole has a molecular weight of 751.69 g/mol, XLogP of 12.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[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]-9H-fluoren-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 160599966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).