3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine

C54H39F2N3 — CID 146776285

IUPAC3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine
SMILESCc1cccc(N(c2ccc(F)cc2)c2ccc3cc4c5ccc(N(c6ccc(F)cc6)c6cccc(C)c6)cc5n(-c5cccc(-c6ccccc6)c5)c4cc3c2)c1
InChIInChI=1S/C54H39F2N3/c1-36-9-6-14-46(29-36)57(44-23-18-42(55)19-24-44)49-22-17-40-33-52-51-28-27-50(58(45-25-20-43(56)21-26-45)47-15-7-10-37(2)30-47)35-54(51)59(53(52)34-41(40)32-49)48-16-8-13-39(31-48)38-11-4-3-5-12-38/h3-35H,1-2H3
InChIKeyRSUFFHZTNURTRB-UHFFFAOYSA-N
MW767.92 g/mol
LogP15.44
Rot. Bonds8

About 3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine

3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine (PubChem CID 146776285) has the molecular formula C54H39F2N3 and a molecular weight of 767.92 g/mol. Its IUPAC name is 3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine.

Molecular Properties

Compound Name3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine
PubChem CID146776285
Molecular FormulaC54H39F2N3
Molecular Weight767.92 g/mol
Exact Mass767.31
IUPAC Name3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine
SMILESCc1cccc(N(c2ccc(F)cc2)c2ccc3cc4c5ccc(N(c6ccc(F)cc6)c6cccc(C)c6)cc5n(-c5cccc(-c6ccccc6)c5)c4cc3c2)c1
InChIInChI=1S/C54H39F2N3/c1-36-9-6-14-46(29-36)57(44-23-18-42(55)19-24-44)49-22-17-40-33-52-51-28-27-50(58(45-25-20-43(56)21-26-45)47-15-7-10-37(2)30-47)35-54(51)59(53(52)34-41(40)32-49)48-16-8-13-39(31-48)38-11-4-3-5-12-38/h3-35H,1-2H3
InChIKeyRSUFFHZTNURTRB-UHFFFAOYSA-N
XLogP15.44
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.92
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
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
3-N,8-N-bis(4-methoxyphenyl)-3-N,8-N-diphenyl-5-(4-phenylphenyl)benzo[b]carbazole-3,8-diamine
CID 139573043
N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170092188
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(9-phenylcarbazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;5-(9-phenylcarbazol-2-yl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N,3-N,3-N-tris(4-methylphenyl)-1-N-phenyl-5-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 159393254
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
N,7-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-N,7-diphenyl-9-(3-phenylphenyl)carbazol-2-amine;7-phenyl-9-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;N,N,7-triphenyl-9-(2-phenylphenyl)carbazol-2-amine;N,N,7-triphenyl-9-(3-phenylphenyl)carbazol-2-amine
CID 160535773

Frequently Asked Questions

What is the IUPAC name of 3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The IUPAC name of 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) is 3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine.
What is the SMILES notation for 3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The canonical SMILES for 3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine is Cc1cccc(N(c2ccc(F)cc2)c2ccc3cc4c5ccc(N(c6ccc(F)cc6)c6cccc(C)c6)cc5n(-c5cccc(-c6ccccc6)c5)c4cc3c2)c1.
What is the InChIKey of 3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine?
The InChIKey is RSUFFHZTNURTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39F2N3/c1-36-9-6-14-46(29-36)57(44-23-18-42(55)19-24-44)49-22-17-40-33-52-51-28-27-50(58(45-25-20-43(56)21-26-45)47-15-7-10-37(2)30-47)35-54(51)59(53(52)34-41(40)32-49)48-16-8-13-39(31-48)38-11-4-3-5-12-38/h3-35H,1-2H3.
What are the key properties of 3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine?
3-N,8-N-bis(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine has a molecular weight of 767.92 g/mol, XLogP of 15.44, 8 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(4-fluorophenyl)-3-N,8-N-bis(3-methylphenyl)-5-(3-phenylphenyl)benzo[b]carbazole-3,8-diamine is sourced from PubChem (CID 146776285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).