2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole

C51H43N — CID 177269722

IUPAC2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C51H43N/c1-49(2)45-30-42(32-24-26-39-37-20-11-10-18-35(37)36-19-12-13-21-38(36)44(39)28-32)43(31-46(45)50(3,4)51(49,5)6)33-25-27-41-40-22-14-15-23-47(40)52(48(41)29-33)34-16-8-7-9-17-34/h7-31H,1-6H3
InChIKeyZICVGVPCLGXMHJ-UHFFFAOYSA-N
MW669.91 g/mol
LogP14.17
Rot. Bonds3

About 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole

2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole (PubChem CID 177269722) has the molecular formula C51H43N and a molecular weight of 669.91 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole
PubChem CID177269722
Molecular FormulaC51H43N
Molecular Weight669.91 g/mol
Exact Mass669.34
IUPAC Name2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C51H43N/c1-49(2)45-30-42(32-24-26-39-37-20-11-10-18-35(37)36-19-12-13-21-38(36)44(39)28-32)43(31-46(45)50(3,4)51(49,5)6)33-25-27-41-40-22-14-15-23-47(40)52(48(41)29-33)34-16-8-7-9-17-34/h7-31H,1-6H3
InChIKeyZICVGVPCLGXMHJ-UHFFFAOYSA-N
XLogP14.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.91
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole
CID 170567721
3-(1,1,2,2,3,3-hexamethyl-6-triphenylen-1-ylinden-5-yl)-6,9-diphenylcarbazole
CID 170567795
6-[4-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598851
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
CID 126598422
6-[3-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598816
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795
9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 126598362

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole?
The IUPAC name of 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole (CID 177269722) is 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole is CC1(C)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole?
The InChIKey is ZICVGVPCLGXMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N/c1-49(2)45-30-42(32-24-26-39-37-20-11-10-18-35(37)36-19-12-13-21-38(36)44(39)28-32)43(31-46(45)50(3,4)51(49,5)6)33-25-27-41-40-22-14-15-23-47(40)52(48(41)29-33)34-16-8-7-9-17-34/h7-31H,1-6H3.
What are the key properties of 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole?
2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole has a molecular weight of 669.91 g/mol, XLogP of 14.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole is sourced from PubChem (CID 177269722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).