9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole

C39H29N4- — CID 144963882

IUPAC9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3C2=NC(c3ccccc3)[N-]C(c3ccccc3)N2)cc1
InChIInChI=1S/C39H29N4/c1-5-13-27(14-6-1)31-22-24-35-34(25-31)33-23-21-32(28-15-7-2-8-16-28)26-36(33)43(35)39-41-37(29-17-9-3-10-18-29)40-38(42-39)30-19-11-4-12-20-30/h1-26,37-38H,(H,41,42)/q-1
InChIKeyHATIIARGWHLUFB-UHFFFAOYSA-N
MW553.69 g/mol
LogP9.71
Rot. Bonds4

About 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole

9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole (PubChem CID 144963882) has the molecular formula C39H29N4- and a molecular weight of 553.69 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole
PubChem CID144963882
Molecular FormulaC39H29N4-
Molecular Weight553.69 g/mol
Exact Mass553.24
IUPAC Name9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3C2=NC(c3ccccc3)[N-]C(c3ccccc3)N2)cc1
InChIInChI=1S/C39H29N4/c1-5-13-27(14-6-1)31-22-24-35-34(25-31)33-23-21-32(28-15-7-2-8-16-28)26-36(33)43(35)39-41-37(29-17-9-3-10-18-29)40-38(42-39)30-19-11-4-12-20-30/h1-26,37-38H,(H,41,42)/q-1
InChIKeyHATIIARGWHLUFB-UHFFFAOYSA-N
XLogP9.71
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.69
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole?
The IUPAC name of 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole (CID 144963882) is 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole.
What is the SMILES notation for 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole?
The canonical SMILES for 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4)cc2n3C2=NC(c3ccccc3)[N-]C(c3ccccc3)N2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole?
The InChIKey is HATIIARGWHLUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N4/c1-5-13-27(14-6-1)31-22-24-35-34(25-31)33-23-21-32(28-15-7-2-8-16-28)26-36(33)43(35)39-41-37(29-17-9-3-10-18-29)40-38(42-39)30-19-11-4-12-20-30/h1-26,37-38H,(H,41,42)/q-1.
What are the key properties of 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole?
9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole has a molecular weight of 553.69 g/mol, XLogP of 9.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3-diaza-5-azanidacyclohex-2-en-2-yl)-2,6-diphenylcarbazole is sourced from PubChem (CID 144963882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).