N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine

C55H35N3OS — CID 167129643

IUPACN,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2nc3cc4oc5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6-c6ccccc6)cc5c4cc3s2)cc1
InChIInChI=1S/C55H35N3OS/c1-5-15-36(16-6-1)45-32-41(26-28-43(45)38-25-30-52-47(31-38)48-34-54-49(35-53(48)59-52)56-55(60-54)37-17-7-2-8-18-37)57(39-19-9-3-10-20-39)42-27-29-51-46(33-42)44-23-13-14-24-50(44)58(51)40-21-11-4-12-22-40/h1-35H
InChIKeyWXDLMLCFGKEQAV-UHFFFAOYSA-N
MW785.97 g/mol
LogP15.76
Rot. Bonds7

About N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine

N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine (PubChem CID 167129643) has the molecular formula C55H35N3OS and a molecular weight of 785.97 g/mol. Its IUPAC name is N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine
PubChem CID167129643
Molecular FormulaC55H35N3OS
Molecular Weight785.97 g/mol
Exact Mass785.25
IUPAC NameN,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2nc3cc4oc5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6-c6ccccc6)cc5c4cc3s2)cc1
InChIInChI=1S/C55H35N3OS/c1-5-15-36(16-6-1)45-32-41(26-28-43(45)38-25-30-52-47(31-38)48-34-54-49(35-53(48)59-52)56-55(60-54)37-17-7-2-8-18-37)57(39-19-9-3-10-20-39)42-27-29-51-46(33-42)44-23-13-14-24-50(44)58(51)40-21-11-4-12-22-40/h1-35H
InChIKeyWXDLMLCFGKEQAV-UHFFFAOYSA-N
XLogP15.76
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.97
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-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

9-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-6-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 171455896
3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline;bis(N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 160545889
N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443601
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 126585577
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 174294964
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine
CID 162483420
4-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]-N,N-diphenylaniline
CID 121443581
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 162157282

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine (CID 167129643) is N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine is c1ccc(-c2nc3cc4oc5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6-c6ccccc6)cc5c4cc3s2)cc1.
What is the InChIKey of N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine?
The InChIKey is WXDLMLCFGKEQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3OS/c1-5-15-36(16-6-1)45-32-41(26-28-43(45)38-25-30-52-47(31-38)48-34-54-49(35-53(48)59-52)56-55(60-54)37-17-7-2-8-18-37)57(39-19-9-3-10-20-39)42-27-29-51-46(33-42)44-23-13-14-24-50(44)58(51)40-21-11-4-12-22-40/h1-35H.
What are the key properties of N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine?
N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine has a molecular weight of 785.97 g/mol, XLogP of 15.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[3-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-6-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 167129643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).