N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine

C44H30N2S — CID 163812576

IUPACN-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine
SMILESC1=Cc2c(ccc3c2c2cc(N(c4ccccc4)c4cccc5sc6c7ccccc7ccc6c45)ccc2n3-c2ccccc2)CC1
InChIInChI=1S/C44H30N2S/c1-3-14-31(15-4-1)45(39-20-11-21-41-43(39)36-25-22-30-13-8-10-19-35(30)44(36)47-41)33-24-27-38-37(28-33)42-34-18-9-7-12-29(34)23-26-40(42)46(38)32-16-5-2-6-17-32/h1-6,8-11,13-28H,7,12H2
InChIKeyNOOIYVCDOALKQM-UHFFFAOYSA-N
MW618.81 g/mol
LogP12.73
Rot. Bonds4

About N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine

N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine (PubChem CID 163812576) has the molecular formula C44H30N2S and a molecular weight of 618.81 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine
PubChem CID163812576
Molecular FormulaC44H30N2S
Molecular Weight618.81 g/mol
Exact Mass618.21
IUPAC NameN-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine
SMILESC1=Cc2c(ccc3c2c2cc(N(c4ccccc4)c4cccc5sc6c7ccccc7ccc6c45)ccc2n3-c2ccccc2)CC1
InChIInChI=1S/C44H30N2S/c1-3-14-31(15-4-1)45(39-20-11-21-41-43(39)36-25-22-30-13-8-10-19-35(30)44(36)47-41)33-24-27-38-37(28-33)42-34-18-9-7-12-29(34)23-26-40(42)46(38)32-16-5-2-6-17-32/h1-6,8-11,13-28H,7,12H2
InChIKeyNOOIYVCDOALKQM-UHFFFAOYSA-N
XLogP12.73
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.81
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine with MolForge

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297
N-chrysen-3-yl-N-phenylnaphtho[1,2-b][1]benzothiol-7-amine
CID 170140474
N,7-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3,4-dihydrobenzo[g]carbazol-9-amine
CID 145362267
N-chrysen-3-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine
CID 170138626
N-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine
CID 89448210
6-cyclohexa-1,5-dien-1-yl-N-dibenzothiophen-2-yl-N,9-diphenylcarbazol-4-amine
CID 90377526
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236
4-N-naphtho[2,1-b][1]benzothiol-11-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165032934
N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 160959389
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 170050252
N,4-diphenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-2-amine
CID 162150455

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine (CID 163812576) is N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine is C1=Cc2c(ccc3c2c2cc(N(c4ccccc4)c4cccc5sc6c7ccccc7ccc6c45)ccc2n3-c2ccccc2)CC1.
What is the InChIKey of N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine?
The InChIKey is NOOIYVCDOALKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2S/c1-3-14-31(15-4-1)45(39-20-11-21-41-43(39)36-25-22-30-13-8-10-19-35(30)44(36)47-41)33-24-27-38-37(28-33)42-34-18-9-7-12-29(34)23-26-40(42)46(38)32-16-5-2-6-17-32/h1-6,8-11,13-28H,7,12H2.
What are the key properties of N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine?
N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine has a molecular weight of 618.81 g/mol, XLogP of 12.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine is sourced from PubChem (CID 163812576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).