N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine

C58H38N2S — CID 168847825

IUPACN-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C58H38N2S/c1-3-16-41(17-4-1)48-35-36-54(57-50-24-10-12-28-55(50)61-58(48)57)60(53-27-14-26-52-56(53)49-23-9-11-25-51(49)59(52)46-21-5-2-6-22-46)47-33-31-40(32-34-47)43-19-13-20-44(37-43)45-30-29-39-15-7-8-18-42(39)38-45/h1-38H
InChIKeyBSHYOVRCGNCOLL-UHFFFAOYSA-N
MW795.02 g/mol
LogP16.78
Rot. Bonds7

About N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine

N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine (PubChem CID 168847825) has the molecular formula C58H38N2S and a molecular weight of 795.02 g/mol. Its IUPAC name is N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
PubChem CID168847825
Molecular FormulaC58H38N2S
Molecular Weight795.02 g/mol
Exact Mass794.28
IUPAC NameN-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C58H38N2S/c1-3-16-41(17-4-1)48-35-36-54(57-50-24-10-12-28-55(50)61-58(48)57)60(53-27-14-26-52-56(53)49-23-9-11-25-51(49)59(52)46-21-5-2-6-22-46)47-33-31-40(32-34-47)43-19-13-20-44(37-43)45-30-29-39-15-7-8-18-42(39)38-45/h1-38H
InChIKeyBSHYOVRCGNCOLL-UHFFFAOYSA-N
XLogP16.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.02
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236455
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 160770802
4-naphthalen-1-yl-N-[4-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 168848021
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-4-amine
CID 177286550
N-[4-[8-[4-[4-(N-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-ylanilino)carbazol-9-yl]naphthalen-1-yl]dibenzothiophen-3-yl]dibenzothiophen-1-yl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine
CID 170030867
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176609909
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
9-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-4-amine
CID 174257736
5-naphthalen-2-yl-3-N-(9-phenylcarbazol-4-yl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine;5-naphthalen-2-yl-3-N-(2-phenylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)-3-N-[4-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 163659291
4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine?
The IUPAC name of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine (CID 168847825) is N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine.
What is the SMILES notation for N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine?
The canonical SMILES for N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine?
The InChIKey is BSHYOVRCGNCOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S/c1-3-16-41(17-4-1)48-35-36-54(57-50-24-10-12-28-55(50)61-58(48)57)60(53-27-14-26-52-56(53)49-23-9-11-25-51(49)59(52)46-21-5-2-6-22-46)47-33-31-40(32-34-47)43-19-13-20-44(37-43)45-30-29-39-15-7-8-18-42(39)38-45/h1-38H.
What are the key properties of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine?
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine has a molecular weight of 795.02 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine is sourced from PubChem (CID 168847825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).