9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole

C45H29N3O — CID 162723168

IUPAC9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3OC4)nc3ccccc23)cc1
InChIInChI=1S/C45H29N3O/c1-3-12-29(13-4-1)44-35-18-7-9-20-39(35)46-45(47-44)36-19-11-14-32-28-49-42-25-23-31(27-38(42)43(32)36)30-22-24-41-37(26-30)34-17-8-10-21-40(34)48(41)33-15-5-2-6-16-33/h1-27H,28H2
InChIKeyUUEBBXWNORCSRI-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.29
Rot. Bonds4

About 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole

9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole (PubChem CID 162723168) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole
PubChem CID162723168
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3OC4)nc3ccccc23)cc1
InChIInChI=1S/C45H29N3O/c1-3-12-29(13-4-1)44-35-18-7-9-20-39(35)46-45(47-44)36-19-11-14-32-28-49-42-25-23-31(27-38(42)43(32)36)30-22-24-41-37(26-30)34-17-8-10-21-40(34)48(41)33-15-5-2-6-16-33/h1-27H,28H2
InChIKeyUUEBBXWNORCSRI-UHFFFAOYSA-N
XLogP11.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
3-(9-phenylcarbazol-3-yl)-9-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(2-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]carbazole
CID 134236962
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
CID 170252814
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane
CID 90129296
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole (CID 162723168) is 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole is c1ccc(-c2nc(-c3cccc4c3-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3OC4)nc3ccccc23)cc1.
What is the InChIKey of 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole?
The InChIKey is UUEBBXWNORCSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-3-12-29(13-4-1)44-35-18-7-9-20-39(35)46-45(47-44)36-19-11-14-32-28-49-42-25-23-31(27-38(42)43(32)36)30-22-24-41-37(26-30)34-17-8-10-21-40(34)48(41)33-15-5-2-6-16-33/h1-27H,28H2.
What are the key properties of 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole?
9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole has a molecular weight of 627.75 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole is sourced from PubChem (CID 162723168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).