N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine

C46H30N2S — CID 169302985

IUPACN-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4[nH]c5cc6ccccc6cc5c4c3)c3ccc4sc5cccc(-c6ccccc6)c5c4c3)cc2)cc1
InChIInChI=1S/C46H30N2S/c1-3-10-30(11-4-1)31-18-20-35(21-19-31)48(36-22-24-42-40(28-36)39-26-33-14-7-8-15-34(33)27-43(39)47-42)37-23-25-44-41(29-37)46-38(16-9-17-45(46)49-44)32-12-5-2-6-13-32/h1-29,47H
InChIKeyGYPQZTAXJKNPKN-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.65
Rot. Bonds5

About N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine

N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine (PubChem CID 169302985) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine.

Molecular Properties

Compound NameN-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine
PubChem CID169302985
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4[nH]c5cc6ccccc6cc5c4c3)c3ccc4sc5cccc(-c6ccccc6)c5c4c3)cc2)cc1
InChIInChI=1S/C46H30N2S/c1-3-10-30(11-4-1)31-18-20-35(21-19-31)48(36-22-24-42-40(28-36)39-26-33-14-7-8-15-34(33)27-43(39)47-42)37-23-25-44-41(29-37)46-38(16-9-17-45(46)49-44)32-12-5-2-6-13-32/h1-29,47H
InChIKeyGYPQZTAXJKNPKN-UHFFFAOYSA-N
XLogP13.65
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-2-amine
CID 176630528
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-2-amine
CID 166055525
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166055460
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 167680897
9-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 166055432
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170038025
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 170038744
N-naphtho[2,1-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 118616579
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282

Frequently Asked Questions

What is the IUPAC name of N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine?
The IUPAC name of N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine (CID 169302985) is N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine.
What is the SMILES notation for N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine?
The canonical SMILES for N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4[nH]c5cc6ccccc6cc5c4c3)c3ccc4sc5cccc(-c6ccccc6)c5c4c3)cc2)cc1.
What is the InChIKey of N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine?
The InChIKey is GYPQZTAXJKNPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-3-10-30(11-4-1)31-18-20-35(21-19-31)48(36-22-24-42-40(28-36)39-26-33-14-7-8-15-34(33)27-43(39)47-42)37-23-25-44-41(29-37)46-38(16-9-17-45(46)49-44)32-12-5-2-6-13-32/h1-29,47H.
What are the key properties of N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine?
N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine has a molecular weight of 642.83 g/mol, XLogP of 13.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-phenyldibenzothiophen-2-yl)-N-(4-phenylphenyl)-5H-benzo[b]carbazol-2-amine is sourced from PubChem (CID 169302985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).