N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine

C54H36N2S — CID 170665643

IUPACN-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-16-37(17-5-1)38-30-33-42(34-31-38)55(50-28-15-25-47-44-22-10-12-26-48(44)56(54(47)50)41-20-8-3-9-21-41)49-27-14-24-43(53(49)39-18-6-2-7-19-39)40-32-35-46-45-23-11-13-29-51(45)57-52(46)36-40/h1-36H
InChIKeyMDEVLXLMBWOEJX-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine

N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine (PubChem CID 170665643) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
PubChem CID170665643
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC NameN-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-16-37(17-5-1)38-30-33-42(34-31-38)55(50-28-15-25-47-44-22-10-12-26-48(44)56(54(47)50)41-20-8-3-9-21-41)49-27-14-24-43(53(49)39-18-6-2-7-19-39)40-32-35-46-45-23-11-13-29-51(45)57-52(46)36-40/h1-36H
InChIKeyMDEVLXLMBWOEJX-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339
N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 169009865
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 164790607
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 162216523
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine (CID 170665643) is N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The InChIKey is MDEVLXLMBWOEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-16-37(17-5-1)38-30-33-42(34-31-38)55(50-28-15-25-47-44-22-10-12-26-48(44)56(54(47)50)41-20-8-3-9-21-41)49-27-14-24-43(53(49)39-18-6-2-7-19-39)40-32-35-46-45-23-11-13-29-51(45)57-52(46)36-40/h1-36H.
What are the key properties of N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 170665643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).