N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine

C53H37N — CID 170373494

IUPACN,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
SMILESc1ccc(-c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4ccccc4c2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C53H37N/c1-6-20-38(21-7-1)40-34-35-49-47(36-40)48-37-51(54(43-28-14-5-15-29-43)50-33-19-18-30-44(50)39-22-8-2-9-23-39)45-31-16-17-32-46(45)52(48)53(49,41-24-10-3-11-25-41)42-26-12-4-13-27-42/h1-37H
InChIKeyLQHDKJQACLTBDK-UHFFFAOYSA-N
MW687.89 g/mol
LogP14.01
Rot. Bonds7

About N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine

N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine (PubChem CID 170373494) has the molecular formula C53H37N and a molecular weight of 687.89 g/mol. Its IUPAC name is N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine.

Molecular Properties

Compound NameN,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
PubChem CID170373494
Molecular FormulaC53H37N
Molecular Weight687.89 g/mol
Exact Mass687.29
IUPAC NameN,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
SMILESc1ccc(-c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4ccccc4c2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C53H37N/c1-6-20-38(21-7-1)40-34-35-49-47(36-40)48-37-51(54(43-28-14-5-15-29-43)50-33-19-18-30-44(50)39-22-8-2-9-23-39)45-31-16-17-32-46(45)52(48)53(49,41-24-10-3-11-25-41)42-26-12-4-13-27-42/h1-37H
InChIKeyLQHDKJQACLTBDK-UHFFFAOYSA-N
XLogP14.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373501
3,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280305
5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine
CID 170373346
11,11-dimethyl-N,9-diphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
CID 170372991
11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373009
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
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
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624
2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118265716

Frequently Asked Questions

What is the IUPAC name of N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine?
The IUPAC name of N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine (CID 170373494) is N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine.
What is the SMILES notation for N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine?
The canonical SMILES for N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine is c1ccc(-c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4ccccc4c2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine?
The InChIKey is LQHDKJQACLTBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N/c1-6-20-38(21-7-1)40-34-35-49-47(36-40)48-37-51(54(43-28-14-5-15-29-43)50-33-19-18-30-44(50)39-22-8-2-9-23-39)45-31-16-17-32-46(45)52(48)53(49,41-24-10-3-11-25-41)42-26-12-4-13-27-42/h1-37H.
What are the key properties of N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine?
N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine has a molecular weight of 687.89 g/mol, XLogP of 14.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine is sourced from PubChem (CID 170373494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).