N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline

C55H39NO — CID 122600476

IUPACN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
SMILESC/C=C\c1cccc2oc3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)cc3c12
InChIInChI=1S/C55H39NO/c1-2-10-45-15-9-18-54-55(45)52-37-46(29-36-53(52)57-54)42-21-19-39(20-22-42)41-25-32-48(33-26-41)56(47-30-23-40(24-31-47)38-11-4-3-5-12-38)49-34-27-44(28-35-49)51-17-8-14-43-13-6-7-16-50(43)51/h2-37H,1H3/b10-2-
InChIKeyZENMTYPDGDSWJJ-SGAXSIHGSA-N
MW729.92 g/mol
LogP15.91
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline (PubChem CID 122600476) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
PubChem CID122600476
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC NameN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
SMILESC/C=C\c1cccc2oc3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)cc3c12
InChIInChI=1S/C55H39NO/c1-2-10-45-15-9-18-54-55(45)52-37-46(29-36-53(52)57-54)42-21-19-39(20-22-42)41-25-32-48(33-26-41)56(47-30-23-40(24-31-47)38-11-4-3-5-12-38)49-34-27-44(28-35-49)51-17-8-14-43-13-6-7-16-50(43)51/h2-37H,1H3/b10-2-
InChIKeyZENMTYPDGDSWJJ-SGAXSIHGSA-N
XLogP15.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N,N-bis(4-dibenzofuran-2-ylphenyl)-3,5-diphenylaniline;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157066218
3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170535389
N-(4-dibenzofuran-3-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 159589004
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
CID 170030516
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
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

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline (CID 122600476) is N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline is C/C=C\c1cccc2oc3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)cc3c12.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline?
The InChIKey is ZENMTYPDGDSWJJ-SGAXSIHGSA-N. The full InChI is InChI=1S/C55H39NO/c1-2-10-45-15-9-18-54-55(45)52-37-46(29-36-53(52)57-54)42-21-19-39(20-22-42)41-25-32-48(33-26-41)56(47-30-23-40(24-31-47)38-11-4-3-5-12-38)49-34-27-44(28-35-49)51-17-8-14-43-13-6-7-16-50(43)51/h2-37H,1H3/b10-2-.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline has a molecular weight of 729.92 g/mol, XLogP of 15.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 122600476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).