N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline

C49H37N — CID 177079849

IUPACN-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C49H37N/c1-49(2)44-27-15-13-26-43(44)48-45(49)33-36-19-9-10-23-40(36)47(48)35-29-31-38(32-30-35)50(37-20-7-4-8-21-37)46-28-16-14-25-42(46)41-24-12-11-22-39(41)34-17-5-3-6-18-34/h3-33H,1-2H3
InChIKeyAGTDELNWOVKUOQ-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline

N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 177079849) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
PubChem CID177079849
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC NameN-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C49H37N/c1-49(2)44-27-15-13-26-43(44)48-45(49)33-36-19-9-10-23-40(36)47(48)35-29-31-38(32-30-35)50(37-20-7-4-8-21-37)46-28-16-14-25-42(46)41-24-12-11-22-39(41)34-17-5-3-6-18-34/h3-33H,1-2H3
InChIKeyAGTDELNWOVKUOQ-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 139430695
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170134948
3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161038802
2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 170135025
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
10,10,12,12-tetramethyl-N,5-diphenyl-N-(2-phenylphenyl)indeno[2,1-b]fluoren-7-amine
CID 171402249
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611810
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170117389

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline (CID 177079849) is N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline is CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is AGTDELNWOVKUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)44-27-15-13-26-43(44)48-45(49)33-36-19-9-10-23-40(36)47(48)35-29-31-38(32-30-35)50(37-20-7-4-8-21-37)46-28-16-14-25-42(46)41-24-12-11-22-39(41)34-17-5-3-6-18-34/h3-33H,1-2H3.
What are the key properties of N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline?
N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 177079849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).