N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine

C56H36N2S — CID 163617976

IUPACN-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(N(c5ccc6ccc(-c7ccccc7)cc6c5)c5ccc6sc7ccc8ccccc8c7c6c5)cccc43)c2)cc1
InChIInChI=1S/C56H36N2S/c1-3-13-37(14-4-1)41-18-11-19-44(34-41)58-50-22-10-9-21-48(50)56-51(23-12-24-52(56)58)57(45-29-27-39-25-26-42(33-43(39)35-45)38-15-5-2-6-16-38)46-30-32-53-49(36-46)55-47-20-8-7-17-40(47)28-31-54(55)59-53/h1-36H
InChIKeyHLPNZXLFVLLBFB-UHFFFAOYSA-N
MW768.99 g/mol
LogP16.26
Rot. Bonds6

About N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine

N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine (PubChem CID 163617976) has the molecular formula C56H36N2S and a molecular weight of 768.99 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine
PubChem CID163617976
Molecular FormulaC56H36N2S
Molecular Weight768.99 g/mol
Exact Mass768.26
IUPAC NameN-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(N(c5ccc6ccc(-c7ccccc7)cc6c5)c5ccc6sc7ccc8ccccc8c7c6c5)cccc43)c2)cc1
InChIInChI=1S/C56H36N2S/c1-3-13-37(14-4-1)41-18-11-19-44(34-41)58-50-22-10-9-21-48(50)56-51(23-12-24-52(56)58)57(45-29-27-39-25-26-42(33-43(39)35-45)38-15-5-2-6-16-38)46-30-32-53-49(36-46)55-47-20-8-7-17-40(47)28-31-54(55)59-53/h1-36H
InChIKeyHLPNZXLFVLLBFB-UHFFFAOYSA-N
XLogP16.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.99
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170041989
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-(4-naphthalen-2-ylphenyl)-N-naphtho[2,3-b][1]benzothiol-1-yl-9-phenylcarbazol-3-amine
CID 163883658
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
9-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-4-amine
CID 174257736
N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine
CID 166997307
14-(3-naphthalen-2-ylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166844629
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 170038744
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146577847
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738145

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine (CID 163617976) is N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine is c1ccc(-c2cccc(-n3c4ccccc4c4c(N(c5ccc6ccc(-c7ccccc7)cc6c5)c5ccc6sc7ccc8ccccc8c7c6c5)cccc43)c2)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine?
The InChIKey is HLPNZXLFVLLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S/c1-3-13-37(14-4-1)41-18-11-19-44(34-41)58-50-22-10-9-21-48(50)56-51(23-12-24-52(56)58)57(45-29-27-39-25-26-42(33-43(39)35-45)38-15-5-2-6-16-38)46-30-32-53-49(36-46)55-47-20-8-7-17-40(47)28-31-54(55)59-53/h1-36H.
What are the key properties of N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine?
N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine has a molecular weight of 768.99 g/mol, XLogP of 16.26, 6 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-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 163617976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).