4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole

C54H33N7 — CID 154514157

IUPAC4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5nc(-n6c7ccccc7c7ccccc76)c6c7ccccc7n(-c7ccccc7)c6n5)ccc43)c3ccccc3n2)cc1
InChIInChI=1S/C54H33N7/c1-3-17-34(18-4-1)50-55-43-26-12-7-24-40(43)52(56-50)60-46-29-15-10-23-39(46)42-33-35(31-32-48(42)60)51-57-53-49(41-25-11-16-30-47(41)59(53)36-19-5-2-6-20-36)54(58-51)61-44-27-13-8-21-37(44)38-22-9-14-28-45(38)61/h1-33H
InChIKeyGYLOYSWXSSXUSH-UHFFFAOYSA-N
MW779.91 g/mol
LogP13.05
Rot. Bonds5

About 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole

4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole (PubChem CID 154514157) has the molecular formula C54H33N7 and a molecular weight of 779.91 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole
PubChem CID154514157
Molecular FormulaC54H33N7
Molecular Weight779.91 g/mol
Exact Mass779.28
IUPAC Name4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5nc(-n6c7ccccc7c7ccccc76)c6c7ccccc7n(-c7ccccc7)c6n5)ccc43)c3ccccc3n2)cc1
InChIInChI=1S/C54H33N7/c1-3-17-34(18-4-1)50-55-43-26-12-7-24-40(43)52(56-50)60-46-29-15-10-23-39(46)42-33-35(31-32-48(42)60)51-57-53-49(41-25-11-16-30-47(41)59(53)36-19-5-2-6-20-36)54(58-51)61-44-27-13-8-21-37(44)38-22-9-14-28-45(38)61/h1-33H
InChIKeyGYLOYSWXSSXUSH-UHFFFAOYSA-N
XLogP13.05
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.91
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
11-phenyl-9-(3-phenylcarbazol-9-yl)-10,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 163388252
3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 160822067
9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 118232378
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
1-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-(4-phenylphenyl)benzo[f]quinazoline
CID 121401885
1-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-3-(4-phenylphenyl)benzo[f]quinazoline
CID 121401887
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375682
2,4,9-triphenyl-6-[9-(4-phenyl-1,5-naphthyridin-2-yl)carbazol-3-yl]pyrimido[4,5-b]indole;2,4,9-triphenyl-6-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole;2,4,9-triphenyl-6-[9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]pyrimido[4,5-b]indole
CID 158219690
11-phenyl-24-(2-phenylquinazolin-4-yl)-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 163868911

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole?
The IUPAC name of 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole (CID 154514157) is 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole.
What is the SMILES notation for 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole?
The canonical SMILES for 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5nc(-n6c7ccccc7c7ccccc76)c6c7ccccc7n(-c7ccccc7)c6n5)ccc43)c3ccccc3n2)cc1.
What is the InChIKey of 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole?
The InChIKey is GYLOYSWXSSXUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N7/c1-3-17-34(18-4-1)50-55-43-26-12-7-24-40(43)52(56-50)60-46-29-15-10-23-39(46)42-33-35(31-32-48(42)60)51-57-53-49(41-25-11-16-30-47(41)59(53)36-19-5-2-6-20-36)54(58-51)61-44-27-13-8-21-37(44)38-22-9-14-28-45(38)61/h1-33H.
What are the key properties of 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole?
4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole has a molecular weight of 779.91 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole is sourced from PubChem (CID 154514157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).