9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine

C50H34N6 — CID 134509037

IUPAC9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1
InChIInChI=1S/C50H34N6/c1-5-17-35(18-6-1)53(36-19-7-2-8-20-36)39-29-31-41-42-32-30-40(54(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(42)55(47(41)33-39)50-52-44-26-14-13-25-43(44)49-51-45-27-15-16-28-46(45)56(49)50/h1-34H
InChIKeyHZTDRXXBELQTTE-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.07
Rot. Bonds7

About 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine

9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine (PubChem CID 134509037) has the molecular formula C50H34N6 and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine.

Molecular Properties

Compound Name9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
PubChem CID134509037
Molecular FormulaC50H34N6
Molecular Weight718.86 g/mol
Exact Mass718.28
IUPAC Name9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1
InChIInChI=1S/C50H34N6/c1-5-17-35(18-6-1)53(36-19-7-2-8-20-36)39-29-31-41-42-32-30-40(54(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(42)55(47(41)33-39)50-52-44-26-14-13-25-43(44)49-51-45-27-15-16-28-46(45)56(49)50/h1-34H
InChIKeyHZTDRXXBELQTTE-UHFFFAOYSA-N
XLogP13.07
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 134509065
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-N,N-diphenylaniline;N-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 160751175
5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine
CID 162169497
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509181
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
6-(2-dinaphthalen-2-ylphosphorylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509179
6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509081
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158963688
N,N-bis(4-phenylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaen-13-amine
CID 71229621

Frequently Asked Questions

What is the IUPAC name of 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine?
The IUPAC name of 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine (CID 134509037) is 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine.
What is the SMILES notation for 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine?
The canonical SMILES for 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine is c1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1.
What is the InChIKey of 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine?
The InChIKey is HZTDRXXBELQTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6/c1-5-17-35(18-6-1)53(36-19-7-2-8-20-36)39-29-31-41-42-32-30-40(54(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(42)55(47(41)33-39)50-52-44-26-14-13-25-43(44)49-51-45-27-15-16-28-46(45)56(49)50/h1-34H.
What are the key properties of 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine?
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine has a molecular weight of 718.86 g/mol, XLogP of 13.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzimidazolo[1,2-c]quinazolin-6-yl)-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine is sourced from PubChem (CID 134509037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).