1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole

C53H44N4 — CID 145257445

IUPAC1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C53H44N4/c1-51(2)42-31-41-40-30-35(25-27-46(40)56(36-19-11-8-12-20-36)48(41)32-43(42)52(3,4)53(51,5)6)34-26-28-47-39(29-34)37-21-14-16-24-45(37)57(47)50-54-44-23-15-13-22-38(44)49(55-50)33-17-9-7-10-18-33/h7-32H,1-6H3
InChIKeyYOPKGZCOJYYDPH-UHFFFAOYSA-N
MW736.96 g/mol
LogP13.75
Rot. Bonds4

About 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole

1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole (PubChem CID 145257445) has the molecular formula C53H44N4 and a molecular weight of 736.96 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole.

Molecular Properties

Compound Name1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole
PubChem CID145257445
Molecular FormulaC53H44N4
Molecular Weight736.96 g/mol
Exact Mass736.36
IUPAC Name1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C53H44N4/c1-51(2)42-31-41-40-30-35(25-27-46(40)56(36-19-11-8-12-20-36)48(41)32-43(42)52(3,4)53(51,5)6)34-26-28-47-39(29-34)37-21-14-16-24-45(37)57(47)50-54-44-23-15-13-22-38(44)49(55-50)33-17-9-7-10-18-33/h7-32H,1-6H3
InChIKeyYOPKGZCOJYYDPH-UHFFFAOYSA-N
XLogP13.75
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.96
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole
CID 161357421
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene
CID 126598951
15,15-dimethyl-7-(9-phenylcarbazol-3-yl)-11-(4-phenylquinazolin-2-yl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaene
CID 135274073
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole?
The IUPAC name of 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole (CID 145257445) is 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole.
What is the SMILES notation for 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole?
The canonical SMILES for 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole is CC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)c6ccccc6n5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole?
The InChIKey is YOPKGZCOJYYDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N4/c1-51(2)42-31-41-40-30-35(25-27-46(40)56(36-19-11-8-12-20-36)48(41)32-43(42)52(3,4)53(51,5)6)34-26-28-47-39(29-34)37-21-14-16-24-45(37)57(47)50-54-44-23-15-13-22-38(44)49(55-50)33-17-9-7-10-18-33/h7-32H,1-6H3.
What are the key properties of 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole?
1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole has a molecular weight of 736.96 g/mol, XLogP of 13.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole is sourced from PubChem (CID 145257445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).