11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine

C52H35NO — CID 170675098

IUPAC11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccc7ccccc7c6c5c4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-22-39(23-21-38)41-26-31-45(32-27-41)53(44-29-24-40(25-30-44)37-14-6-2-7-15-37)47-33-35-49-52(50(47)43-17-8-3-9-18-43)51-46-19-11-10-16-42(46)28-34-48(51)54-49/h1-35H
InChIKeySZBOKLOVDYVEQH-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine

11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 170675098) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID170675098
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccc7ccccc7c6c5c4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-22-39(23-21-38)41-26-31-45(32-27-41)53(44-29-24-40(25-30-44)37-14-6-2-7-15-37)47-33-35-49-52(50(47)43-17-8-3-9-18-43)51-46-19-11-10-16-42(46)28-34-48(51)54-49/h1-35H
InChIKeySZBOKLOVDYVEQH-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675342
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
N-naphthalen-1-yl-N-phenyl-1-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281615
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
16-phenyl-N,N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433561
9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856411
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-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]-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 153468588
N-[4-[10-(N-phenylanilino)anthracen-9-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 153468577
N-[4-[4-[N-(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-yl)anilino]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 153468639
1-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280903
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

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine (CID 170675098) is 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccc7ccccc7c6c5c4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is SZBOKLOVDYVEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-22-39(23-21-38)41-26-31-45(32-27-41)53(44-29-24-40(25-30-44)37-14-6-2-7-15-37)47-33-35-49-52(50(47)43-17-8-3-9-18-43)51-46-19-11-10-16-42(46)28-34-48(51)54-49/h1-35H.
What are the key properties of 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine?
11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 170675098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).