7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine

C55H41N3O2 — CID 129194485

IUPAC7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
SMILESCC1C=C(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6c(c5)oc5ccc(N(c7ccccc7)c7ccccc7)cc56)ccc4c3c2)C=CC1
InChIInChI=1S/C55H41N3O2/c1-38-15-14-24-43(33-38)57(41-20-10-4-11-21-41)45-28-32-53-51(35-45)49-30-26-47(37-55(49)60-53)58(42-22-12-5-13-23-42)46-25-29-48-50-34-44(27-31-52(50)59-54(48)36-46)56(39-16-6-2-7-17-39)40-18-8-3-9-19-40/h2-14,16-38H,15H2,1H3
InChIKeyFQPBGOKJNGGQCN-UHFFFAOYSA-N
MW775.95 g/mol
LogP16.04
Rot. Bonds9

About 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine

7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (PubChem CID 129194485) has the molecular formula C55H41N3O2 and a molecular weight of 775.95 g/mol. Its IUPAC name is 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.

Molecular Properties

Compound Name7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
PubChem CID129194485
Molecular FormulaC55H41N3O2
Molecular Weight775.95 g/mol
Exact Mass775.32
IUPAC Name7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
SMILESCC1C=C(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6c(c5)oc5ccc(N(c7ccccc7)c7ccccc7)cc56)ccc4c3c2)C=CC1
InChIInChI=1S/C55H41N3O2/c1-38-15-14-24-43(33-38)57(41-20-10-4-11-21-41)45-28-32-53-51(35-45)49-30-26-47(37-55(49)60-53)58(42-22-12-5-13-23-42)46-25-29-48-50-34-44(27-31-52(50)59-54(48)36-46)56(39-16-6-2-7-17-39)40-18-8-3-9-19-40/h2-14,16-38H,15H2,1H3
InChIKeyFQPBGOKJNGGQCN-UHFFFAOYSA-N
XLogP16.04
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.95
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine 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

1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N,N-diphenyldibenzofuran-2-amine
CID 58038469
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
6-(N-cyclohexa-1,5-dien-1-ylanilino)-2-(N-phenylanilino)xanthen-9-one
CID 145444862
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861
N,N,17-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171049996

Frequently Asked Questions

What is the IUPAC name of 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The IUPAC name of 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (CID 129194485) is 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.
What is the SMILES notation for 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The canonical SMILES for 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine is CC1C=C(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6c(c5)oc5ccc(N(c7ccccc7)c7ccccc7)cc56)ccc4c3c2)C=CC1.
What is the InChIKey of 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The InChIKey is FQPBGOKJNGGQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3O2/c1-38-15-14-24-43(33-38)57(41-20-10-4-11-21-41)45-28-32-53-51(35-45)49-30-26-47(37-55(49)60-53)58(42-22-12-5-13-23-42)46-25-29-48-50-34-44(27-31-52(50)59-54(48)36-46)56(39-16-6-2-7-17-39)40-18-8-3-9-19-40/h2-14,16-38H,15H2,1H3.
What are the key properties of 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine has a molecular weight of 775.95 g/mol, XLogP of 16.04, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine is sourced from PubChem (CID 129194485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).