5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine

C62H43NS — CID 169285419

IUPAC5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc4cc5c(cc4c3)-c3ccccc3S5(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C62H43NS/c1-5-17-44(18-6-1)45-31-36-51(37-32-45)63(52-38-33-47(34-39-52)57-29-16-22-48-21-15-28-56(62(48)57)46-19-7-2-8-20-46)53-40-35-49-43-61-59(42-50(49)41-53)58-27-13-14-30-60(58)64(61,54-23-9-3-10-24-54)55-25-11-4-12-26-55/h1-43H
InChIKeyOVWRRJKNVDUSSA-UHFFFAOYSA-N
MW834.10 g/mol
LogP17.78
Rot. Bonds8

About 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine

5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine (PubChem CID 169285419) has the molecular formula C62H43NS and a molecular weight of 834.10 g/mol. Its IUPAC name is 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine.

Molecular Properties

Compound Name5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine
PubChem CID169285419
Molecular FormulaC62H43NS
Molecular Weight834.10 g/mol
Exact Mass833.31
IUPAC Name5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc4cc5c(cc4c3)-c3ccccc3S5(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C62H43NS/c1-5-17-44(18-6-1)45-31-36-51(37-32-45)63(52-38-33-47(34-39-52)57-29-16-22-48-21-15-28-56(62(48)57)46-19-7-2-8-20-46)53-40-35-49-43-61-59(42-50(49)41-53)58-27-13-14-30-60(58)64(61,54-23-9-3-10-24-54)55-25-11-4-12-26-55/h1-43H
InChIKeyOVWRRJKNVDUSSA-UHFFFAOYSA-N
XLogP17.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.10
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-17-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032157
4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8-triphenyldibenzothiophen-2-yl)phenyl]aniline
CID 134462258
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031712
N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine
CID 170297558
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167182181
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-(2-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 139352789
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
3-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588253

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine?
The IUPAC name of 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine (CID 169285419) is 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine.
What is the SMILES notation for 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine?
The canonical SMILES for 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc4cc5c(cc4c3)-c3ccccc3S5(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine?
The InChIKey is OVWRRJKNVDUSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NS/c1-5-17-44(18-6-1)45-31-36-51(37-32-45)63(52-38-33-47(34-39-52)57-29-16-22-48-21-15-28-56(62(48)57)46-19-7-2-8-20-46)53-40-35-49-43-61-59(42-50(49)41-53)58-27-13-14-30-60(58)64(61,54-23-9-3-10-24-54)55-25-11-4-12-26-55/h1-43H.
What are the key properties of 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine?
5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine has a molecular weight of 834.10 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine is sourced from PubChem (CID 169285419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).