N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine

C46H30N2S — CID 170041577

IUPACN-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3ccc4sc5ccccc5c4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C46H30N2S/c1-3-14-31(15-4-1)35-18-7-10-22-40(35)47(34-28-26-32-27-29-44-45(39(32)30-34)38-20-9-12-25-43(38)49-44)42-24-13-21-37-36-19-8-11-23-41(36)48(46(37)42)33-16-5-2-6-17-33/h1-30H
InChIKeyDCNASZQDGNTVDW-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine

N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (PubChem CID 170041577) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
PubChem CID170041577
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3ccc4sc5ccccc5c4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C46H30N2S/c1-3-14-31(15-4-1)35-18-7-10-22-40(35)47(34-28-26-32-27-29-44-45(39(32)30-34)38-20-9-12-25-43(38)49-44)42-24-13-21-37-36-19-8-11-23-41(36)48(46(37)42)33-16-5-2-6-17-33/h1-30H
InChIKeyDCNASZQDGNTVDW-UHFFFAOYSA-N
XLogP13.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170138552
N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 169009865
N-dibenzothiophen-1-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-1-amine
CID 170042320
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
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-benzo[c]phenanthren-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 167181846
N-chrysen-6-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 170138393
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
N-dibenzothiophen-1-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170298457
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167181795
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (CID 170041577) is N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccccc2N(c2ccc3ccc4sc5ccccc5c4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The InChIKey is DCNASZQDGNTVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-3-14-31(15-4-1)35-18-7-10-22-40(35)47(34-28-26-32-27-29-44-45(39(32)30-34)38-20-9-12-25-43(38)49-44)42-24-13-21-37-36-19-8-11-23-41(36)48(46(37)42)33-16-5-2-6-17-33/h1-30H.
What are the key properties of N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine has a molecular weight of 642.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 170041577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).