N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine

C47H39NO — CID 174255001

IUPACN-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3oc4cc(N(c5ccc(C6(c7ccccc7)CCCCCC6)cc5)c5ccc6ccccc6c5)ccc4c23)cc1
InChIInChI=1S/C47H39NO/c1-2-12-31-47(30-11-1,37-18-7-4-8-19-37)38-23-26-39(27-24-38)48(40-25-22-34-14-9-10-17-36(34)32-40)41-28-29-43-45(33-41)49-44-21-13-20-42(46(43)44)35-15-5-3-6-16-35/h3-10,13-29,32-33H,1-2,11-12,30-31H2
InChIKeyJDTSXSDIDBUHSZ-UHFFFAOYSA-N
MW633.84 g/mol
LogP13.52
Rot. Bonds6

About N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine

N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine (PubChem CID 174255001) has the molecular formula C47H39NO and a molecular weight of 633.84 g/mol. Its IUPAC name is N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
PubChem CID174255001
Molecular FormulaC47H39NO
Molecular Weight633.84 g/mol
Exact Mass633.30
IUPAC NameN-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3oc4cc(N(c5ccc(C6(c7ccccc7)CCCCCC6)cc5)c5ccc6ccccc6c5)ccc4c23)cc1
InChIInChI=1S/C47H39NO/c1-2-12-31-47(30-11-1,37-18-7-4-8-19-37)38-23-26-39(27-24-38)48(40-25-22-34-14-9-10-17-36(34)32-40)41-28-29-43-45(33-41)49-44-21-13-20-42(46(43)44)35-15-5-3-6-16-35/h3-10,13-29,32-33H,1-2,11-12,30-31H2
InChIKeyJDTSXSDIDBUHSZ-UHFFFAOYSA-N
XLogP13.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.84
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255291
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255025
N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255268
N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167402833
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635
N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255082
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
CID 174254843
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine (CID 174255001) is N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc3oc4cc(N(c5ccc(C6(c7ccccc7)CCCCCC6)cc5)c5ccc6ccccc6c5)ccc4c23)cc1.
What is the InChIKey of N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine?
The InChIKey is JDTSXSDIDBUHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39NO/c1-2-12-31-47(30-11-1,37-18-7-4-8-19-37)38-23-26-39(27-24-38)48(40-25-22-34-14-9-10-17-36(34)32-40)41-28-29-43-45(33-41)49-44-21-13-20-42(46(43)44)35-15-5-3-6-16-35/h3-10,13-29,32-33H,1-2,11-12,30-31H2.
What are the key properties of N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine?
N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine has a molecular weight of 633.84 g/mol, XLogP of 13.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 174255001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).