5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine

C138H96N6 — CID 160726392

IUPAC5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c(cc4c3)c3ccccc3n5-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c6ccccc6n(-c6ccccc6)c5cc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)c3ccccc3n5-c3ccccc3)cc2)cc1
InChIInChI=1S/3C46H32N2/c1-4-13-33(14-5-1)35-23-27-39(28-24-35)47(40-29-25-36(26-30-40)34-15-6-2-7-16-34)45-22-12-17-37-31-46-43(32-42(37)45)41-20-10-11-21-44(41)48(46)38-18-8-3-9-19-38;1-4-12-33(13-5-1)35-20-25-40(26-21-35)47(41-27-22-36(23-28-41)34-14-6-2-7-15-34)42-29-24-37-32-46-44(31-38(37)30-42)43-18-10-11-19-45(43)48(46)39-16-8-3-9-17-39;1-4-12-33(13-5-1)35-20-25-40(26-21-35)47(41-27-22-36(23-28-41)34-14-6-2-7-15-34)42-29-24-37-31-44-43-18-10-11-19-45(43)48(39-16-8-3-9-17-39)46(44)32-38(37)30-42/h3*1-32H
InChIKeyRTTQNSCNQMEHDW-UHFFFAOYSA-N
MW1838.33 g/mol
LogP38.22
Rot. Bonds18

About 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine

5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine (PubChem CID 160726392) has the molecular formula C138H96N6 and a molecular weight of 1838.33 g/mol. Its IUPAC name is 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine.

Molecular Properties

Compound Name5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine
PubChem CID160726392
Molecular FormulaC138H96N6
Molecular Weight1838.33 g/mol
Exact Mass1836.77
IUPAC Name5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c(cc4c3)c3ccccc3n5-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c6ccccc6n(-c6ccccc6)c5cc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)c3ccccc3n5-c3ccccc3)cc2)cc1
InChIInChI=1S/3C46H32N2/c1-4-13-33(14-5-1)35-23-27-39(28-24-35)47(40-29-25-36(26-30-40)34-15-6-2-7-16-34)45-22-12-17-37-31-46-43(32-42(37)45)41-20-10-11-21-44(41)48(46)38-18-8-3-9-19-38;1-4-12-33(13-5-1)35-20-25-40(26-21-35)47(41-27-22-36(23-28-41)34-14-6-2-7-15-34)42-29-24-37-32-46-44(31-38(37)30-42)43-18-10-11-19-45(43)48(46)39-16-8-3-9-17-39;1-4-12-33(13-5-1)35-20-25-40(26-21-35)47(41-27-22-36(23-28-41)34-14-6-2-7-15-34)42-29-24-37-31-44-43-18-10-11-19-45(43)48(39-16-8-3-9-17-39)46(44)32-38(37)30-42/h3*1-32H
InChIKeyRTTQNSCNQMEHDW-UHFFFAOYSA-N
XLogP38.22
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms144
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001838.33
LogP ≤ 538.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine?
The IUPAC name of 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine (CID 160726392) is 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine.
What is the SMILES notation for 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine?
The canonical SMILES for 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c(cc4c3)c3ccccc3n5-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc5c6ccccc6n(-c6ccccc6)c5cc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)c3ccccc3n5-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine?
The InChIKey is RTTQNSCNQMEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H32N2/c1-4-13-33(14-5-1)35-23-27-39(28-24-35)47(40-29-25-36(26-30-40)34-15-6-2-7-16-34)45-22-12-17-37-31-46-43(32-42(37)45)41-20-10-11-21-44(41)48(46)38-18-8-3-9-19-38;1-4-12-33(13-5-1)35-20-25-40(26-21-35)47(41-27-22-36(23-28-41)34-14-6-2-7-15-34)42-29-24-37-32-46-44(31-38(37)30-42)43-18-10-11-19-45(43)48(46)39-16-8-3-9-17-39;1-4-12-33(13-5-1)35-20-25-40(26-21-35)47(41-27-22-36(23-28-41)34-14-6-2-7-15-34)42-29-24-37-31-44-43-18-10-11-19-45(43)48(39-16-8-3-9-17-39)46(44)32-38(37)30-42/h3*1-32H.
What are the key properties of 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine?
5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine has a molecular weight of 1838.33 g/mol, XLogP of 38.22, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine is sourced from PubChem (CID 160726392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).