N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline

C49H37N — CID 169280371

IUPACN-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C49H37N/c1-49(2)44-25-15-14-24-43(44)47-46(45(36-18-8-4-9-19-36)41-22-12-13-23-42(41)48(47)49)37-28-32-40(33-29-37)50(38-20-10-5-11-21-38)39-30-26-35(27-31-39)34-16-6-3-7-17-34/h3-33H,1-2H3
InChIKeyYYTZNVJSEVQMGG-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline

N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline (PubChem CID 169280371) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline
PubChem CID169280371
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC NameN-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C49H37N/c1-49(2)44-25-15-14-24-43(44)47-46(45(36-18-8-4-9-19-36)41-22-12-13-23-42(41)48(47)49)37-28-32-40(33-29-37)50(38-20-10-5-11-21-38)39-30-26-35(27-31-39)34-16-6-3-7-17-34/h3-33H,1-2H3
InChIKeyYYTZNVJSEVQMGG-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-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
11,11-dimethyl-6-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280476
11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280252
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6,11,11-triphenylbenzo[a]fluoren-5-yl)phenyl]fluoren-2-amine
CID 169280346
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280399
3,3,24,24-tetramethyl-6-N,21-N-diphenyl-6-N,21-N-bis(4-phenylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182237
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline
CID 58142463
11,11-dimethyl-6-phenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280503
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline (CID 169280371) is N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is YYTZNVJSEVQMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)44-25-15-14-24-43(44)47-46(45(36-18-8-4-9-19-36)41-22-12-13-23-42(41)48(47)49)37-28-32-40(33-29-37)50(38-20-10-5-11-21-38)39-30-26-35(27-31-39)34-16-6-3-7-17-34/h3-33H,1-2H3.
What are the key properties of N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline?
N-[4-(11,11-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline 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-dimethyl-5-phenylbenzo[a]fluoren-6-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 169280371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).