N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine

C48H32N2S — CID 169009865

IUPACN-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H32N2S/c1-4-16-33(17-5-1)37-22-10-12-26-42(37)49(36-30-31-40-39-23-11-13-29-45(39)51-46(40)32-36)44-28-15-25-41-47-38(34-18-6-2-7-19-34)24-14-27-43(47)50(48(41)44)35-20-8-3-9-21-35/h1-32H
InChIKeyFFJMKRJTFSGVBB-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine

N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine (PubChem CID 169009865) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine
PubChem CID169009865
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H32N2S/c1-4-16-33(17-5-1)37-22-10-12-26-42(37)49(36-30-31-40-39-23-11-13-29-45(39)51-46(40)32-36)44-28-15-25-41-47-38(34-18-6-2-7-19-34)24-14-27-43(47)50(48(41)44)35-20-8-3-9-21-35/h1-32H
InChIKeyFFJMKRJTFSGVBB-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-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

N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 166847694
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-3-amine
CID 177286582
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170665643
N-dibenzothiophen-3-yl-9-phenyl-N-(4-phenylphenyl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-amine
CID 163902647
N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169010108
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 164957060
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 168781643
N-benzo[c]phenanthren-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 167181846
N-chrysen-6-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-1-amine
CID 170138393
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine (CID 169009865) is N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine?
The InChIKey is FFJMKRJTFSGVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-16-33(17-5-1)37-22-10-12-26-42(37)49(36-30-31-40-39-23-11-13-29-45(39)51-46(40)32-36)44-28-15-25-41-47-38(34-18-6-2-7-19-34)24-14-27-43(47)50(48(41)44)35-20-8-3-9-21-35/h1-32H.
What are the key properties of N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine?
N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 169009865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).