2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline

C66H42N4 — CID 121402019

IUPAC2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)nc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C66H42N4/c1-5-15-43(16-6-1)46-25-27-48(28-26-46)64-55-34-29-47-21-13-14-24-54(47)65(55)68-66(67-64)70-62-37-31-50(45-19-9-3-10-20-45)40-58(62)59-42-52(33-38-63(59)70)51-32-36-61-57(41-51)56-39-49(44-17-7-2-8-18-44)30-35-60(56)69(61)53-22-11-4-12-23-53/h1-42H
InChIKeyJFYSYWQSSIFHDY-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.31
Rot. Bonds7

About 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline

2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline (PubChem CID 121402019) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline.

Molecular Properties

Compound Name2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
PubChem CID121402019
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC Name2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)nc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C66H42N4/c1-5-15-43(16-6-1)46-25-27-48(28-26-46)64-55-34-29-47-21-13-14-24-54(47)65(55)68-66(67-64)70-62-37-31-50(45-19-9-3-10-20-45)40-58(62)59-42-52(33-38-63(59)70)51-32-36-61-57(41-51)56-39-49(44-17-7-2-8-18-44)30-35-60(56)69(61)53-22-11-4-12-23-53/h1-42H
InChIKeyJFYSYWQSSIFHDY-UHFFFAOYSA-N
XLogP17.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 130355727
7-phenyl-10-[9-(4-phenylbenzo[h]quinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 155153254
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121402159
4-phenyl-2,8-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline
CID 134189759
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465327
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
9-phenyl-6-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[c]carbazol-10-yl]carbazole-3-thiol
CID 131998699
2-[3-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-9-yl]-4-phenylbenzo[h]quinazoline
CID 122497102
5-[9-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 145243189
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-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline?
The IUPAC name of 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline (CID 121402019) is 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline.
What is the SMILES notation for 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline?
The canonical SMILES for 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)nc4c3ccc3ccccc34)cc2)cc1.
What is the InChIKey of 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline?
The InChIKey is JFYSYWQSSIFHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c1-5-15-43(16-6-1)46-25-27-48(28-26-46)64-55-34-29-47-21-13-14-24-54(47)65(55)68-66(67-64)70-62-37-31-50(45-19-9-3-10-20-45)40-58(62)59-42-52(33-38-63(59)70)51-32-36-61-57(41-51)56-39-49(44-17-7-2-8-18-44)30-35-60(56)69(61)53-22-11-4-12-23-53/h1-42H.
What are the key properties of 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline?
2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline has a molecular weight of 891.09 g/mol, XLogP of 17.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline is sourced from PubChem (CID 121402019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).