N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C52H34N2S — CID 170042092

IUPACN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)c4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C52H34N2S/c1-3-11-35(12-4-1)36-19-25-41(26-20-36)53(43-29-31-46-45-15-7-9-17-48(45)54(49(46)34-43)40-13-5-2-6-14-40)42-27-21-37(22-28-42)38-23-30-44-39(33-38)24-32-51-52(44)47-16-8-10-18-50(47)55-51/h1-34H
InChIKeyQBAROMUXQDYKEL-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 170042092) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID170042092
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)c4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C52H34N2S/c1-3-11-35(12-4-1)36-19-25-41(26-20-36)53(43-29-31-46-45-15-7-9-17-48(45)54(49(46)34-43)40-13-5-2-6-14-40)42-27-21-37(22-28-42)38-23-30-44-39(33-38)24-32-51-52(44)47-16-8-10-18-50(47)55-51/h1-34H
InChIKeyQBAROMUXQDYKEL-UHFFFAOYSA-N
XLogP15.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 170042593
4-N-(3-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165017692
N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042369
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170041989
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 168807456
N-phenyl-N-[3-(9-phenylcarbazol-2-yl)-5-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 118349368
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 170042092) is N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6sc7ccccc7c65)c4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is QBAROMUXQDYKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-11-35(12-4-1)36-19-25-41(26-20-36)53(43-29-31-46-45-15-7-9-17-48(45)54(49(46)34-43)40-13-5-2-6-14-40)42-27-21-37(22-28-42)38-23-30-44-39(33-38)24-32-51-52(44)47-16-8-10-18-50(47)55-51/h1-34H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 718.93 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 170042092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).