3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

C34H22ClNO — CID 166915998

IUPAC3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESClc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C34H22ClNO/c35-27-21-31(34-30-19-25-11-7-8-12-26(25)20-32(30)37-33(34)22-27)36(28-13-5-2-6-14-28)29-17-15-24(16-18-29)23-9-3-1-4-10-23/h1-22H
InChIKeyUQLHQRPGIBJRQP-UHFFFAOYSA-N
MW496.01 g/mol
LogP10.53
Rot. Bonds4

About 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 166915998) has the molecular formula C34H22ClNO and a molecular weight of 496.01 g/mol. Its IUPAC name is 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID166915998
Molecular FormulaC34H22ClNO
Molecular Weight496.01 g/mol
Exact Mass495.14
IUPAC Name3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESClc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C34H22ClNO/c35-27-21-31(34-30-19-25-11-7-8-12-26(25)20-32(30)37-33(34)22-27)36(28-13-5-2-6-14-28)29-17-15-24(16-18-29)23-9-3-1-4-10-23/h1-22H
InChIKeyUQLHQRPGIBJRQP-UHFFFAOYSA-N
XLogP10.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine
CID 171587201
1-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-3-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,3-diamine
CID 166916411
1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine
CID 166856790
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542
N-[4-(4-chlorophenyl)phenyl]-N-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 153468544
N-phenyl-N-(2-phenylphenyl)-3-[phenyl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran-1-amine
CID 169293400
7-N,17-N-diphenyl-7-N,17-N-bis(1-phenylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 171728091
1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine
CID 166856777
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 167144570
N-(4-naphthalen-2-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 174271399
2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164714650
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 166915998) is 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is Clc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2c(c1)oc1cc3ccccc3cc12.
What is the InChIKey of 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is UQLHQRPGIBJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22ClNO/c35-27-21-31(34-30-19-25-11-7-8-12-26(25)20-32(30)37-33(34)22-27)36(28-13-5-2-6-14-28)29-17-15-24(16-18-29)23-9-3-1-4-10-23/h1-22H.
What are the key properties of 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 496.01 g/mol, XLogP of 10.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 166915998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).