12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene

C58H39N5 — CID 135274257

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene
SMILESCC1(C)c2cccc3cccc(c23)-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
InChIInChI=1S/C58H39N5/c1-58(2)48-26-15-21-36-20-14-25-43(52(36)48)44-30-31-45-47-35-40(39-28-32-50-46(34-39)42-24-12-13-27-49(42)62(50)41-22-10-5-11-23-41)29-33-51(47)63(54(45)53(44)58)57-60-55(37-16-6-3-7-17-37)59-56(61-57)38-18-8-4-9-19-38/h3-35H,1-2H3
InChIKeySKVPNTKYTOEHGH-UHFFFAOYSA-N
MW805.99 g/mol
LogP14.53
Rot. Bonds5

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene (PubChem CID 135274257) has the molecular formula C58H39N5 and a molecular weight of 805.99 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene
PubChem CID135274257
Molecular FormulaC58H39N5
Molecular Weight805.99 g/mol
Exact Mass805.32
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene
SMILESCC1(C)c2cccc3cccc(c23)-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
InChIInChI=1S/C58H39N5/c1-58(2)48-26-15-21-36-20-14-25-43(52(36)48)44-30-31-45-47-35-40(39-28-32-50-46(34-39)42-24-12-13-27-49(42)62(50)41-22-10-5-11-23-41)29-33-51(47)63(54(45)53(44)58)57-60-55(37-16-6-3-7-17-37)59-56(61-57)38-18-8-4-9-19-38/h3-35H,1-2H3
InChIKeySKVPNTKYTOEHGH-UHFFFAOYSA-N
XLogP14.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.99
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene with MolForge

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene
CID 135273811
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene
CID 159991613
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene
CID 162156940
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-3-yl)spiro[benzo[c]fluorene-7,7'-indeno[1,2-a]carbazole]
CID 118613583
12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 160849742
12'-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613483
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-22,22-dimethyl-14-phenyl-6-(9-phenylcarbazol-3-yl)-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene
CID 90270443

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene (CID 135274257) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene is CC1(C)c2cccc3cccc(c23)-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene?
The InChIKey is SKVPNTKYTOEHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5/c1-58(2)48-26-15-21-36-20-14-25-43(52(36)48)44-30-31-45-47-35-40(39-28-32-50-46(34-39)42-24-12-13-27-49(42)62(50)41-22-10-5-11-23-41)29-33-51(47)63(54(45)53(44)58)57-60-55(37-16-6-3-7-17-37)59-56(61-57)38-18-8-4-9-19-38/h3-35H,1-2H3.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene has a molecular weight of 805.99 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene is sourced from PubChem (CID 135274257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).