N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline

C51H37NO — CID 168771541

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)cc21
InChIInChI=1S/C51H37NO/c1-51(2)47-14-8-6-12-43(47)44-30-22-38(32-48(44)51)36-18-26-41(27-19-36)52(40-24-16-35(17-25-40)34-10-4-3-5-11-34)42-28-20-37(21-29-42)39-23-31-46-45-13-7-9-15-49(45)53-50(46)33-39/h3-33H,1-2H3
InChIKeyRWOXHIILIDIPNN-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline

N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline (PubChem CID 168771541) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
PubChem CID168771541
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)cc21
InChIInChI=1S/C51H37NO/c1-51(2)47-14-8-6-12-43(47)44-30-22-38(32-48(44)51)36-18-26-41(27-19-36)52(40-24-16-35(17-25-40)34-10-4-3-5-11-34)42-28-20-37(21-29-42)39-23-31-46-45-13-7-9-15-49(45)53-50(46)33-39/h3-33H,1-2H3
InChIKeyRWOXHIILIDIPNN-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 139504762
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158397284
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
7-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-3-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 160626252
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[4-[3-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964437

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline (CID 168771541) is N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline?
The InChIKey is RWOXHIILIDIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)47-14-8-6-12-43(47)44-30-22-38(32-48(44)51)36-18-26-41(27-19-36)52(40-24-16-35(17-25-40)34-10-4-3-5-11-34)42-28-20-37(21-29-42)39-23-31-46-45-13-7-9-15-49(45)53-50(46)33-39/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline?
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline has a molecular weight of 679.86 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 N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 168771541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).