4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline

C47H34N2O — CID 156510158

IUPAC4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline
SMILESCC1C=Cc2ccc(C3=Cc4c(oc5ccccc45)C4C5=C(C=C=C=C5)N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C34)cc2C1
InChIInChI=1S/C47H34N2O/c1-31-20-21-32-22-23-33(29-34(32)28-31)41-30-42-39-16-9-11-19-44(39)50-47(42)45-40-17-8-10-18-43(40)49(46(41)45)38-26-24-37(25-27-38)48(35-12-4-2-5-13-35)36-14-6-3-7-15-36/h2-7,9,11-27,29-31,45-46H,28H2,1H3
InChIKeyVGWHQNKCUURXET-UHFFFAOYSA-N
MW642.80 g/mol
LogP11.77
Rot. Bonds5

About 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline

4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline (PubChem CID 156510158) has the molecular formula C47H34N2O and a molecular weight of 642.80 g/mol. Its IUPAC name is 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline
PubChem CID156510158
Molecular FormulaC47H34N2O
Molecular Weight642.80 g/mol
Exact Mass642.27
IUPAC Name4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline
SMILESCC1C=Cc2ccc(C3=Cc4c(oc5ccccc45)C4C5=C(C=C=C=C5)N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C34)cc2C1
InChIInChI=1S/C47H34N2O/c1-31-20-21-32-22-23-33(29-34(32)28-31)41-30-42-39-16-9-11-19-44(39)50-47(42)45-40-17-8-10-18-43(40)49(46(41)45)38-26-24-37(25-27-38)48(35-12-4-2-5-13-35)36-14-6-3-7-15-36/h2-7,9,11-27,29-31,45-46H,28H2,1H3
InChIKeyVGWHQNKCUURXET-UHFFFAOYSA-N
XLogP11.77
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.80
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline 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

4b-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N,12-diphenyl-11bH-[1]benzofuro[2,3-a]carbazol-5-amine
CID 126656588
N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167235425
10-N-dibenzofuran-2-yl-10-N-[4-[2-(6-methyl-5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284189
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine
CID 155371747
N-[4-(7-methyl-7,8-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 143813883
4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole
CID 142568244
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 146294835
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118186893
N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402366
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 154592854

Frequently Asked Questions

What is the IUPAC name of 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline (CID 156510158) is 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline is CC1C=Cc2ccc(C3=Cc4c(oc5ccccc45)C4C5=C(C=C=C=C5)N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)C34)cc2C1.
What is the InChIKey of 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline?
The InChIKey is VGWHQNKCUURXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2O/c1-31-20-21-32-22-23-33(29-34(32)28-31)41-30-42-39-16-9-11-19-44(39)50-47(42)45-40-17-8-10-18-43(40)49(46(41)45)38-26-24-37(25-27-38)48(35-12-4-2-5-13-35)36-14-6-3-7-15-36/h2-7,9,11-27,29-31,45-46H,28H2,1H3.
What are the key properties of 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline?
4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline has a molecular weight of 642.80 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(7-methyl-7,8-dihydronaphthalen-2-yl)-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazol-5-yl]-N,N-diphenylaniline is sourced from PubChem (CID 156510158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).