9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine

C54H34N2S — CID 166997394

IUPAC9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc5sc6c7ccccc7ccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C54H34N2S/c1-2-11-35(12-3-1)38-21-22-40-32-41(25-23-39(40)31-38)55(43-27-30-53-49(34-43)47-28-24-37-14-5-7-17-45(37)54(47)57-53)42-26-29-52-48(33-42)46-18-8-9-19-51(46)56(52)50-20-10-15-36-13-4-6-16-44(36)50/h1-34H
InChIKeyHOOPQRMLCIBHJM-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.75
Rot. Bonds5

About 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine

9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine (PubChem CID 166997394) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine
PubChem CID166997394
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc5sc6c7ccccc7ccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C54H34N2S/c1-2-11-35(12-3-1)38-21-22-40-32-41(25-23-39(40)31-38)55(43-27-30-53-49(34-43)47-28-24-37-14-5-7-17-45(37)54(47)57-53)42-26-29-52-48(33-42)46-18-8-9-19-51(46)56(52)50-20-10-15-36-13-4-6-16-44(36)50/h1-34H
InChIKeyHOOPQRMLCIBHJM-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167277542
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 88898926
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
CID 169062013
N-[4-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 160941057
6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372111
4-phenyl-N-[4-[7-[8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzothiophen-4-yl]phenanthren-3-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 139571835
9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,7-diphenylcarbazol-2-amine
CID 146573551
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167182788
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 159567420
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 150047610

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine?
The IUPAC name of 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine (CID 166997394) is 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine.
What is the SMILES notation for 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine?
The canonical SMILES for 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine is c1ccc(-c2ccc3cc(N(c4ccc5sc6c7ccccc7ccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc3c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine?
The InChIKey is HOOPQRMLCIBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-2-11-35(12-3-1)38-21-22-40-32-41(25-23-39(40)31-38)55(43-27-30-53-49(34-43)47-28-24-37-14-5-7-17-45(37)54(47)57-53)42-26-29-52-48(33-42)46-18-8-9-19-51(46)56(52)50-20-10-15-36-13-4-6-16-44(36)50/h1-34H.
What are the key properties of 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine?
9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine has a molecular weight of 742.95 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine is sourced from PubChem (CID 166997394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).