N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine

C46H31NO2 — CID 170250079

IUPACN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
SMILESC1=CC(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2ccc3oc4ccccc4c3c2)CC=C1c1ccccc1
InChIInChI=1S/C46H31NO2/c1-2-8-30(9-3-1)31-16-21-35(22-17-31)47(37-25-27-44-41(29-37)38-10-4-6-12-42(38)48-44)36-23-18-32(19-24-36)34-15-14-33-20-26-45-46(40(33)28-34)39-11-5-7-13-43(39)49-45/h1-21,23-29,35H,22H2
InChIKeyZTMRUDMVLSVUFU-UHFFFAOYSA-N
MW629.76 g/mol
LogP12.86
Rot. Bonds5

About N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine (PubChem CID 170250079) has the molecular formula C46H31NO2 and a molecular weight of 629.76 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
PubChem CID170250079
Molecular FormulaC46H31NO2
Molecular Weight629.76 g/mol
Exact Mass629.24
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
SMILESC1=CC(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2ccc3oc4ccccc4c3c2)CC=C1c1ccccc1
InChIInChI=1S/C46H31NO2/c1-2-8-30(9-3-1)31-16-21-35(22-17-31)47(37-25-27-44-41(29-37)38-10-4-6-12-42(38)48-44)36-23-18-32(19-24-36)34-15-14-33-20-26-45-46(40(33)28-34)39-11-5-7-13-43(39)49-45/h1-21,23-29,35H,22H2
InChIKeyZTMRUDMVLSVUFU-UHFFFAOYSA-N
XLogP12.86
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
CID 146186880
4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
CID 170128535
3-dibenzothiophen-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)aniline
CID 170135768
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-yl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167262278
4-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170026537
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine
CID 144583066
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine (CID 170250079) is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine is C1=CC(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2ccc3oc4ccccc4c3c2)CC=C1c1ccccc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine?
The InChIKey is ZTMRUDMVLSVUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO2/c1-2-8-30(9-3-1)31-16-21-35(22-17-31)47(37-25-27-44-41(29-37)38-10-4-6-12-42(38)48-44)36-23-18-32(19-24-36)34-15-14-33-20-26-45-46(40(33)28-34)39-11-5-7-13-43(39)49-45/h1-21,23-29,35H,22H2.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine?
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine has a molecular weight of 629.76 g/mol, XLogP of 12.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine is sourced from PubChem (CID 170250079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).