5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

C50H33NO — CID 176844261

IUPAC5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6cccc7ccccc67)c6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-12-34(13-4-1)36-22-26-39(27-23-36)51(40-28-24-37(25-29-40)35-14-5-2-6-15-35)41-30-31-48-47(32-41)50-45-20-10-9-19-44(45)46(33-49(50)52-48)43-21-11-17-38-16-7-8-18-42(38)43/h1-33H
InChIKeyDIBBZAITXUYWGA-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 176844261) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID176844261
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC Name5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6cccc7ccccc67)c6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-12-34(13-4-1)36-22-26-39(27-23-36)51(40-28-24-37(25-29-40)35-14-5-2-6-15-35)41-30-31-48-47(32-41)50-45-20-10-9-19-44(45)46(33-49(50)52-48)43-21-11-17-38-16-7-8-18-42(38)43/h1-33H
InChIKeyDIBBZAITXUYWGA-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-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301497
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301400
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508788
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
7-naphthalen-1-yl-N,N-bis(4-phenylphenyl)-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-5-amine
CID 170536255
N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177097176
5-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795838
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170535389
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 176844261) is 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6cccc7ccccc67)c6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is DIBBZAITXUYWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-12-34(13-4-1)36-22-26-39(27-23-36)51(40-28-24-37(25-29-40)35-14-5-2-6-15-35)41-30-31-48-47(32-41)50-45-20-10-9-19-44(45)46(33-49(50)52-48)43-21-11-17-38-16-7-8-18-42(38)43/h1-33H.
What are the key properties of 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-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 5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 176844261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).