3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine

C50H35F6N3 — CID 139573382

IUPAC3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine
SMILESCc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C)c6)c6ccccc6C(F)(F)F)cc5n(-c5ccccc5)c4cc3c2)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C50H35F6N3/c1-32-12-10-16-37(26-32)57(45-20-8-6-18-43(45)49(51,52)53)39-23-22-34-29-42-41-25-24-40(31-48(41)59(36-14-4-3-5-15-36)47(42)30-35(34)28-39)58(38-17-11-13-33(2)27-38)46-21-9-7-19-44(46)50(54,55)56/h3-31H,1-2H3
InChIKeyMGTGQYGCTOTNEZ-UHFFFAOYSA-N
MW791.84 g/mol
LogP15.53
Rot. Bonds7

About 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine

3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine (PubChem CID 139573382) has the molecular formula C50H35F6N3 and a molecular weight of 791.84 g/mol. Its IUPAC name is 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine.

Molecular Properties

Compound Name3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine
PubChem CID139573382
Molecular FormulaC50H35F6N3
Molecular Weight791.84 g/mol
Exact Mass791.27
IUPAC Name3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine
SMILESCc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C)c6)c6ccccc6C(F)(F)F)cc5n(-c5ccccc5)c4cc3c2)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C50H35F6N3/c1-32-12-10-16-37(26-32)57(45-20-8-6-18-43(45)49(51,52)53)39-23-22-34-29-42-41-25-24-40(31-48(41)59(36-14-4-3-5-15-36)47(42)30-35(34)28-39)58(38-17-11-13-33(2)27-38)46-21-9-7-19-44(46)50(54,55)56/h3-31H,1-2H3
InChIKeyMGTGQYGCTOTNEZ-UHFFFAOYSA-N
XLogP15.53
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.84
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine
CID 146776285
3-N,8-N-bis(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)-3-N,8-N-diphenylbenzo[b]carbazole-3,8-diamine
CID 139573418
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
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
3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 165003714
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645
7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine
CID 121328079
N-(2-tert-butylphenyl)-16-carbazol-9-yl-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033573
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016
3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
CID 139573043
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 163492549

Frequently Asked Questions

What is the IUPAC name of 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine?
The IUPAC name of 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine (CID 139573382) is 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine.
What is the SMILES notation for 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine?
The canonical SMILES for 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine is Cc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C)c6)c6ccccc6C(F)(F)F)cc5n(-c5ccccc5)c4cc3c2)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine?
The InChIKey is MGTGQYGCTOTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35F6N3/c1-32-12-10-16-37(26-32)57(45-20-8-6-18-43(45)49(51,52)53)39-23-22-34-29-42-41-25-24-40(31-48(41)59(36-14-4-3-5-15-36)47(42)30-35(34)28-39)58(38-17-11-13-33(2)27-38)46-21-9-7-19-44(46)50(54,55)56/h3-31H,1-2H3.
What are the key properties of 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine?
3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine has a molecular weight of 791.84 g/mol, XLogP of 15.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,8-N-bis(3-methylphenyl)-5-phenyl-3-N,8-N-bis[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine is sourced from PubChem (CID 139573382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).