3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine

C66H46N5OP — CID 143992481

IUPAC3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine
SMILESO=PN(c1ccccc1)c1ccccc1Nc1ccccc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5[nH]c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/C48H31N3.C18H15N2OP/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)39-23-19-33(29-47(39)50)31-21-25-43-41(27-31)42-28-32(22-26-44(42)49-43)34-20-24-40-38-16-8-10-18-46(38)51(48(40)30-34)36-13-5-2-6-14-36;21-22-20(16-11-5-2-6-12-16)18-14-8-7-13-17(18)19-15-9-3-1-4-10-15/h1-30,49H;1-14,19H
InChIKeyPGSAFSOZUBONHE-UHFFFAOYSA-N
MW956.10 g/mol
LogP18.62
Rot. Bonds9

About 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine

3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine (PubChem CID 143992481) has the molecular formula C66H46N5OP and a molecular weight of 956.10 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine.

Molecular Properties

Compound Name3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine
PubChem CID143992481
Molecular FormulaC66H46N5OP
Molecular Weight956.10 g/mol
Exact Mass955.34
IUPAC Name3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine
SMILESO=PN(c1ccccc1)c1ccccc1Nc1ccccc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5[nH]c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/C48H31N3.C18H15N2OP/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)39-23-19-33(29-47(39)50)31-21-25-43-41(27-31)42-28-32(22-26-44(42)49-43)34-20-24-40-38-16-8-10-18-46(38)51(48(40)30-34)36-13-5-2-6-14-36;21-22-20(16-11-5-2-6-12-16)18-14-8-7-13-17(18)19-15-9-3-1-4-10-15/h1-30,49H;1-14,19H
InChIKeyPGSAFSOZUBONHE-UHFFFAOYSA-N
XLogP18.62
TPSA57.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.10
LogP ≤ 518.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
N-[4-[4-[N-(9H-carbazol-2-yl)anilino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 146233031
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 161099965
N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177098641
3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline
CID 161259877
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
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine?
The IUPAC name of 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine (CID 143992481) is 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine.
What is the SMILES notation for 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine?
The canonical SMILES for 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine is O=PN(c1ccccc1)c1ccccc1Nc1ccccc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5[nH]c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.
What is the InChIKey of 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine?
The InChIKey is PGSAFSOZUBONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C18H15N2OP/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)39-23-19-33(29-47(39)50)31-21-25-43-41(27-31)42-28-32(22-26-44(42)49-43)34-20-24-40-38-16-8-10-18-46(38)51(48(40)30-34)36-13-5-2-6-14-36;21-22-20(16-11-5-2-6-12-16)18-14-8-7-13-17(18)19-15-9-3-1-4-10-15/h1-30,49H;1-14,19H.
What are the key properties of 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine?
3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine has a molecular weight of 956.10 g/mol, XLogP of 18.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-phenylcarbazol-2-yl)-9H-carbazole;1-N,2-N-diphenyl-2-N-phosphorosobenzene-1,2-diamine is sourced from PubChem (CID 143992481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).