N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine

C50H33NO — CID 170126954

IUPACN-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc3ccc(N(c4ccc(-c5ccc6c(ccc7oc8ccccc8c76)c5)cc4)c4ccccc4-c4ccccc4)cc3c2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)38-20-19-36-23-28-43(33-41(36)32-38)51(47-17-9-7-15-44(47)37-13-5-2-6-14-37)42-26-21-35(22-27-42)39-24-29-45-40(31-39)25-30-49-50(45)46-16-8-10-18-48(46)52-49/h1-33H
InChIKeyUCIDFTJVQQVDRW-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine

N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine (PubChem CID 170126954) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
PubChem CID170126954
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc3ccc(N(c4ccc(-c5ccc6c(ccc7oc8ccccc8c76)c5)cc4)c4ccccc4-c4ccccc4)cc3c2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)38-20-19-36-23-28-43(33-41(36)32-38)51(47-17-9-7-15-44(47)37-13-5-2-6-14-37)42-26-21-35(22-27-42)39-24-29-45-40(31-39)25-30-49-50(45)46-16-8-10-18-48(46)52-49/h1-33H
InChIKeyUCIDFTJVQQVDRW-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126650
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 170126932
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 170033942
N-(4-dibenzofuran-4-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170127531
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine (CID 170126954) is N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc3ccc(N(c4ccc(-c5ccc6c(ccc7oc8ccccc8c76)c5)cc4)c4ccccc4-c4ccccc4)cc3c2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine?
The InChIKey is UCIDFTJVQQVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-11-34(12-4-1)38-20-19-36-23-28-43(33-41(36)32-38)51(47-17-9-7-15-44(47)37-13-5-2-6-14-37)42-26-21-35(22-27-42)39-24-29-45-40(31-39)25-30-49-50(45)46-16-8-10-18-48(46)52-49/h1-33H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine?
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170126954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).