7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine

C48H30N2S — CID 163616554

IUPAC7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine
SMILESc1ccc(N(c2ccc3sc4c5ccccc5ccc4c3c2)c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C48H30N2S/c1-2-14-35(15-3-1)49(38-23-27-46-42(29-38)41-24-19-33-12-7-9-17-40(33)48(41)51-46)37-22-26-44-43(30-37)47-39-16-8-6-11-32(39)20-25-45(47)50(44)36-21-18-31-10-4-5-13-34(31)28-36/h1-30H
InChIKeyHKMQAWYIBIKOIG-UHFFFAOYSA-N
MW666.85 g/mol
LogP14.08
Rot. Bonds4

About 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine

7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine (PubChem CID 163616554) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine.

Molecular Properties

Compound Name7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine
PubChem CID163616554
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine
SMILESc1ccc(N(c2ccc3sc4c5ccccc5ccc4c3c2)c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C48H30N2S/c1-2-14-35(15-3-1)49(38-23-27-46-42(29-38)41-24-19-33-12-7-9-17-40(33)48(41)51-46)37-22-26-44-43(30-37)47-39-16-8-6-11-32(39)20-25-45(47)50(44)36-21-18-31-10-4-5-13-34(31)28-36/h1-30H
InChIKeyHKMQAWYIBIKOIG-UHFFFAOYSA-N
XLogP14.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
CID 167038184
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167277542
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
N-dibenzothiophen-3-yl-7-naphthalen-2-yl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847627
N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 165009845
N-dibenzothiophen-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847666
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167182788
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,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
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
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;4-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 158348435

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine?
The IUPAC name of 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine (CID 163616554) is 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine.
What is the SMILES notation for 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine?
The canonical SMILES for 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine is c1ccc(N(c2ccc3sc4c5ccccc5ccc4c3c2)c2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine?
The InChIKey is HKMQAWYIBIKOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-14-35(15-3-1)49(38-23-27-46-42(29-38)41-24-19-33-12-7-9-17-40(33)48(41)51-46)37-22-26-44-43(30-37)47-39-16-8-6-11-32(39)20-25-45(47)50(44)36-21-18-31-10-4-5-13-34(31)28-36/h1-30H.
What are the key properties of 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine?
7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine has a molecular weight of 666.85 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 163616554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).