N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine

C49H33NO — CID 163988419

IUPACN-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3oc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)c2)cc1
InChIInChI=1S/C49H33NO/c1-4-16-34(17-5-1)35-18-14-23-39(32-35)50(38-21-8-3-9-22-38)46-29-15-26-42-43-33-37(30-31-47(43)51-48(42)46)49(36-19-6-2-7-20-36)44-27-12-10-24-40(44)41-25-11-13-28-45(41)49/h1-33H
InChIKeyQXAUGYJKSLHIIF-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.09
Rot. Bonds6

About N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine

N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 163988419) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
PubChem CID163988419
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC NameN-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3oc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)c2)cc1
InChIInChI=1S/C49H33NO/c1-4-16-34(17-5-1)35-18-14-23-39(32-35)50(38-21-8-3-9-22-38)46-29-15-26-42-43-33-37(30-31-47(43)51-48(42)46)49(36-19-6-2-7-20-36)44-27-12-10-24-40(44)41-25-11-13-28-45(41)49/h1-33H
InChIKeyQXAUGYJKSLHIIF-UHFFFAOYSA-N
XLogP13.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,8-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 139384360
7-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163827200
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzofuran-4-yl]aniline;N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]aniline;N-phenyl-3-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 163690890
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-(3,5-diphenylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 163589275
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769

Frequently Asked Questions

What is the IUPAC name of N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 163988419) is N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3oc3ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc34)c2)cc1.
What is the InChIKey of N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is QXAUGYJKSLHIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-4-16-34(17-5-1)35-18-14-23-39(32-35)50(38-21-8-3-9-22-38)46-29-15-26-42-43-33-37(30-31-47(43)51-48(42)46)49(36-19-6-2-7-20-36)44-27-12-10-24-40(44)41-25-11-13-28-45(41)49/h1-33H.
What are the key properties of N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine?
N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 651.81 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-8-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 163988419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).