11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C46H31NO — CID 170675685

IUPAC11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-12-32(13-5-1)34-20-25-38(26-21-34)47(39-27-22-35(23-28-39)33-14-6-2-7-15-33)40-30-42(36-16-8-3-9-17-36)46-44(31-40)48-43-29-24-37-18-10-11-19-41(37)45(43)46/h1-31H
InChIKeyHYURMYQJCLJFNA-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 170675685) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID170675685
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-12-32(13-5-1)34-20-25-38(26-21-34)47(39-27-22-35(23-28-39)33-14-6-2-7-15-33)40-30-42(36-16-8-3-9-17-36)46-44(31-40)48-43-29-24-37-18-10-11-19-41(37)45(43)46/h1-31H
InChIKeyHYURMYQJCLJFNA-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine 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

11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170675458
N-(4-dibenzofuran-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674929
9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856411
N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674899
7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 170675326
N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795749
N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 176795809
N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 138651156
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 156554104
N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468645
N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795927

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 170675685) is 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is HYURMYQJCLJFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-12-32(13-5-1)34-20-25-38(26-21-34)47(39-27-22-35(23-28-39)33-14-6-2-7-15-33)40-30-42(36-16-8-3-9-17-36)46-44(31-40)48-43-29-24-37-18-10-11-19-41(37)45(43)46/h1-31H.
What are the key properties of 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 170675685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).