4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline

C46H32N2O — CID 156510164

IUPAC4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c(n(-c3ccc4ccccc4c3)c3ccccc23)C2Oc3ccccc3C12
InChIInChI=1S/C46H32N2O/c1-3-15-34(16-4-1)47(35-17-5-2-6-18-35)36-26-24-32(25-27-36)40-30-41-38-19-10-12-22-43(38)49-46(41)45-44(40)39-20-9-11-21-42(39)48(45)37-28-23-31-13-7-8-14-33(31)29-37/h1-30,41,46H
InChIKeyRDGNECNZIQGTIX-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.92
Rot. Bonds5

About 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline

4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline (PubChem CID 156510164) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
PubChem CID156510164
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC Name4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c(n(-c3ccc4ccccc4c3)c3ccccc23)C2Oc3ccccc3C12
InChIInChI=1S/C46H32N2O/c1-3-15-34(16-4-1)47(35-17-5-2-6-18-35)36-26-24-32(25-27-36)40-30-41-38-19-10-12-22-43(38)49-46(41)45-44(40)39-20-9-11-21-42(39)48(45)37-28-23-31-13-7-8-14-33(31)29-37/h1-30,41,46H
InChIKeyRDGNECNZIQGTIX-UHFFFAOYSA-N
XLogP11.92
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[4-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145273395
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 170363167
N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 145273364
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348
N-[4-(5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]-N,4-diphenylaniline
CID 134252470
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563

Frequently Asked Questions

What is the IUPAC name of 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline (CID 156510164) is 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline is C1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2c(n(-c3ccc4ccccc4c3)c3ccccc23)C2Oc3ccccc3C12.
What is the InChIKey of 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline?
The InChIKey is RDGNECNZIQGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-3-15-34(16-4-1)47(35-17-5-2-6-18-35)36-26-24-32(25-27-36)40-30-41-38-19-10-12-22-43(38)49-46(41)45-44(40)39-20-9-11-21-42(39)48(45)37-28-23-31-13-7-8-14-33(31)29-37/h1-30,41,46H.
What are the key properties of 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline?
4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline has a molecular weight of 628.78 g/mol, XLogP of 11.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12-naphthalen-2-yl-6a,11a-dihydro-[1]benzofuro[2,3-a]carbazol-5-yl)-N,N-diphenylaniline is sourced from PubChem (CID 156510164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).