4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine

C63H41NS — CID 168847708

IUPAC4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(C2c3ccccc3-c3c(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)c6sc7ccccc7c56)c4)cccc32)cc1
InChIInChI=1S/C63H41NS/c1-2-17-44(18-3-1)60-53-24-8-9-25-54(53)61-51(27-14-29-57(60)61)47-21-12-22-49(40-47)64(48-35-33-42(34-36-48)46-32-31-41-15-4-5-19-45(41)39-46)58-38-37-55(52-28-13-20-43-16-6-7-23-50(43)52)63-62(58)56-26-10-11-30-59(56)65-63/h1-40,60H
InChIKeyWLGBZGXCMCAVLV-UHFFFAOYSA-N
MW844.10 g/mol
LogP17.99
Rot. Bonds7

About 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine

4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 168847708) has the molecular formula C63H41NS and a molecular weight of 844.10 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine
PubChem CID168847708
Molecular FormulaC63H41NS
Molecular Weight844.10 g/mol
Exact Mass843.30
IUPAC Name4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(C2c3ccccc3-c3c(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)c6sc7ccccc7c56)c4)cccc32)cc1
InChIInChI=1S/C63H41NS/c1-2-17-44(18-3-1)60-53-24-8-9-25-54(53)61-51(27-14-29-57(60)61)47-21-12-22-49(40-47)64(48-35-33-42(34-36-48)46-32-31-41-15-4-5-19-45(41)39-46)58-38-37-55(52-28-13-20-43-16-6-7-23-50(43)52)63-62(58)56-26-10-11-30-59(56)65-63/h1-40,60H
InChIKeyWLGBZGXCMCAVLV-UHFFFAOYSA-N
XLogP17.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.10
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-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

4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168848036
N-(4-naphthalen-2-ylphenyl)-1-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 175615775
4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine
CID 167086388
N-(3-dibenzothiophen-4-ylphenyl)-5-naphthalen-2-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167234902
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847706
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847741

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine (CID 168847708) is 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine is c1ccc(C2c3ccccc3-c3c(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)c6sc7ccccc7c56)c4)cccc32)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is WLGBZGXCMCAVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NS/c1-2-17-44(18-3-1)60-53-24-8-9-25-54(53)61-51(27-14-29-57(60)61)47-21-12-22-49(40-47)64(48-35-33-42(34-36-48)46-32-31-41-15-4-5-19-45(41)39-46)58-38-37-55(52-28-13-20-43-16-6-7-23-50(43)52)63-62(58)56-26-10-11-30-59(56)65-63/h1-40,60H.
What are the key properties of 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine?
4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 844.10 g/mol, XLogP of 17.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenyl-9H-fluoren-4-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 168847708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).