N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline

C57H41NO — CID 167235425

IUPACN-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline
SMILESCC1C=Cc2cc(-c3ccc(-c4ccccc4)c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4ccccc4)c3)c3ccccc3c2C1
InChIInChI=1S/C57H41NO/c1-38-24-25-43-35-53(49-20-9-8-19-48(49)52(43)34-38)44-29-32-47(41-16-6-3-7-17-41)55(36-44)58(54-22-12-10-18-46(54)40-14-4-2-5-15-40)45-30-26-39(27-31-45)42-28-33-51-50-21-11-13-23-56(50)59-57(51)37-42/h2-33,35-38H,34H2,1H3
InChIKeyJNMSZFPLOBQMHS-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.08
Rot. Bonds7

About N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline

N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline (PubChem CID 167235425) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline
PubChem CID167235425
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline
SMILESCC1C=Cc2cc(-c3ccc(-c4ccccc4)c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4ccccc4)c3)c3ccccc3c2C1
InChIInChI=1S/C57H41NO/c1-38-24-25-43-35-53(49-20-9-8-19-48(49)52(43)34-38)44-29-32-47(41-16-6-3-7-17-41)55(36-44)58(54-22-12-10-18-46(54)40-14-4-2-5-15-40)45-30-26-39(27-31-45)42-28-33-51-50-21-11-13-23-56(50)59-57(51)37-42/h2-33,35-38H,34H2,1H3
InChIKeyJNMSZFPLOBQMHS-UHFFFAOYSA-N
XLogP16.08
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline 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,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-(4-dibenzofuran-3-ylphenyl)-N-(2,4-diphenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(2,5-diphenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(3,4-diphenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 160598683
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234370
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 174321866
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737300
4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine
CID 159052389
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline (CID 167235425) is N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline is CC1C=Cc2cc(-c3ccc(-c4ccccc4)c(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccccc4-c4ccccc4)c3)c3ccccc3c2C1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline?
The InChIKey is JNMSZFPLOBQMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-38-24-25-43-35-53(49-20-9-8-19-48(49)52(43)34-38)44-29-32-47(41-16-6-3-7-17-41)55(36-44)58(54-22-12-10-18-46(54)40-14-4-2-5-15-40)45-30-26-39(27-31-45)42-28-33-51-50-21-11-13-23-56(50)59-57(51)37-42/h2-33,35-38H,34H2,1H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline?
N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline has a molecular weight of 755.96 g/mol, XLogP of 16.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 167235425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).