N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine

C58H38N2OS — CID 163742655

IUPACN-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine
SMILESC1=CC(c2cccc3c2sc2ccccc23)CC=C1N(c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1)c1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C58H38N2OS/c1-3-14-37(15-4-1)42-31-34-51(45-19-8-7-18-44(42)45)59(40-28-26-38(27-29-40)43-22-13-23-49-47-21-10-12-25-55(47)62-58(43)49)41-30-33-52-50(36-41)56-53(60(52)39-16-5-2-6-17-39)35-32-48-46-20-9-11-24-54(46)61-57(48)56/h1-26,28-36,38H,27H2
InChIKeyLJCWWPZEUJXAST-UHFFFAOYSA-N
MW811.02 g/mol
LogP16.64
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine

N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine (PubChem CID 163742655) has the molecular formula C58H38N2OS and a molecular weight of 811.02 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine
PubChem CID163742655
Molecular FormulaC58H38N2OS
Molecular Weight811.02 g/mol
Exact Mass810.27
IUPAC NameN-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine
SMILESC1=CC(c2cccc3c2sc2ccccc23)CC=C1N(c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1)c1ccc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C58H38N2OS/c1-3-14-37(15-4-1)42-31-34-51(45-19-8-7-18-44(42)45)59(40-28-26-38(27-29-40)43-22-13-23-49-47-21-10-12-25-55(47)62-58(43)49)41-30-33-52-50(36-41)56-53(60(52)39-16-5-2-6-17-39)35-32-48-46-20-9-11-24-54(46)61-57(48)56/h1-26,28-36,38H,27H2
InChIKeyLJCWWPZEUJXAST-UHFFFAOYSA-N
XLogP16.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.02
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-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-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g]carbazol-3-amine;N-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine;N-(4-dibenzothiophen-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g]carbazol-3-amine
CID 161478278
N,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-amine
CID 163596548
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
N-dibenzofuran-4-yl-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814483
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-4-amine
CID 157314765
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 118428329
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161435526
4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 162241210
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 135164574
2-carbazol-9-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-phenyldibenzothiophen-4-amine
CID 156521111
5-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154691
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
CID 161097020

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine (CID 163742655) is N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine is C1=CC(c2cccc3c2sc2ccccc23)CC=C1N(c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1)c1ccc(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine?
The InChIKey is LJCWWPZEUJXAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2OS/c1-3-14-37(15-4-1)42-31-34-51(45-19-8-7-18-44(42)45)59(40-28-26-38(27-29-40)43-22-13-23-49-47-21-10-12-25-55(47)62-58(43)49)41-30-33-52-50(36-41)56-53(60(52)39-16-5-2-6-17-39)35-32-48-46-20-9-11-24-54(46)61-57(48)56/h1-26,28-36,38H,27H2.
What are the key properties of N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine?
N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine has a molecular weight of 811.02 g/mol, XLogP of 16.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylcyclohexa-1,5-dien-1-yl)-5-phenyl-N-(4-phenylnaphthalen-1-yl)-[1]benzofuro[3,2-c]carbazol-2-amine is sourced from PubChem (CID 163742655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).