N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine

C63H39NS2 — CID 177121427

IUPACN-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4N(c4cccc5c4sc4c6ccccc6ccc54)c4cccc5c4sc4c6ccccc6ccc54)cc32)cc1
InChIInChI=1S/C63H39NS2/c1-3-19-43(20-4-1)63(44-21-5-2-6-22-44)54-29-13-11-26-48(54)49-36-35-42(39-55(49)63)45-23-12-14-30-56(45)64(57-31-15-27-50-52-37-33-40-17-7-9-24-46(40)59(52)65-61(50)57)58-32-16-28-51-53-38-34-41-18-8-10-25-47(41)60(53)66-62(51)58/h1-39H
InChIKeySFDUYFCKWDVUSC-UHFFFAOYSA-N
MW874.15 g/mol
LogP18.23
Rot. Bonds6

About N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine

N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine (PubChem CID 177121427) has the molecular formula C63H39NS2 and a molecular weight of 874.15 g/mol. Its IUPAC name is N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine
PubChem CID177121427
Molecular FormulaC63H39NS2
Molecular Weight874.15 g/mol
Exact Mass873.25
IUPAC NameN-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4N(c4cccc5c4sc4c6ccccc6ccc54)c4cccc5c4sc4c6ccccc6ccc54)cc32)cc1
InChIInChI=1S/C63H39NS2/c1-3-19-43(20-4-1)63(44-21-5-2-6-22-44)54-29-13-11-26-48(54)49-36-35-42(39-55(49)63)45-23-12-14-30-56(45)64(57-31-15-27-50-52-37-33-40-17-7-9-24-46(40)59(52)65-61(50)57)58-32-16-28-51-53-38-34-41-18-8-10-25-47(41)60(53)66-62(51)58/h1-39H
InChIKeySFDUYFCKWDVUSC-UHFFFAOYSA-N
XLogP18.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.15
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122075
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121734
N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine
CID 177121927
2-(9,9-diphenylfluoren-3-yl)-N-[4-(4-methoxyphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121581
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121395
2-dibenzothiophen-4-yl-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326289
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 177121648

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine?
The IUPAC name of N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine (CID 177121427) is N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine.
What is the SMILES notation for N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine?
The canonical SMILES for N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4N(c4cccc5c4sc4c6ccccc6ccc54)c4cccc5c4sc4c6ccccc6ccc54)cc32)cc1.
What is the InChIKey of N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine?
The InChIKey is SFDUYFCKWDVUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NS2/c1-3-19-43(20-4-1)63(44-21-5-2-6-22-44)54-29-13-11-26-48(54)49-36-35-42(39-55(49)63)45-23-12-14-30-56(45)64(57-31-15-27-50-52-37-33-40-17-7-9-24-46(40)59(52)65-61(50)57)58-32-16-28-51-53-38-34-41-18-8-10-25-47(41)60(53)66-62(51)58/h1-39H.
What are the key properties of N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine?
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine has a molecular weight of 874.15 g/mol, XLogP of 18.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine is sourced from PubChem (CID 177121427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).