N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine

C53H37N — CID 170373364

IUPACN,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3cc(-c5ccccc5)c5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C53H37N/c1-6-19-38(20-7-1)39-33-35-44(36-34-39)54(43-27-14-5-15-28-43)50-32-18-31-49-51(50)48-37-47(40-21-8-2-9-22-40)45-29-16-17-30-46(45)52(48)53(49,41-23-10-3-11-24-41)42-25-12-4-13-26-42/h1-37H
InChIKeyPTAQSSRNYZFGEJ-UHFFFAOYSA-N
MW687.89 g/mol
LogP14.01
Rot. Bonds7

About N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine

N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine (PubChem CID 170373364) has the molecular formula C53H37N and a molecular weight of 687.89 g/mol. Its IUPAC name is N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine.

Molecular Properties

Compound NameN,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
PubChem CID170373364
Molecular FormulaC53H37N
Molecular Weight687.89 g/mol
Exact Mass687.29
IUPAC NameN,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3cc(-c5ccccc5)c5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C53H37N/c1-6-19-38(20-7-1)39-33-35-44(36-34-39)54(43-27-14-5-15-28-43)50-32-18-31-49-51(50)48-37-47(40-21-8-2-9-22-40)45-29-16-17-30-46(45)52(48)53(49,41-23-10-3-11-24-41)42-25-12-4-13-26-42/h1-37H
InChIKeyPTAQSSRNYZFGEJ-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

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372918
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355194
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine
CID 170373346
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192

Frequently Asked Questions

What is the IUPAC name of N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine?
The IUPAC name of N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine (CID 170373364) is N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine.
What is the SMILES notation for N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine?
The canonical SMILES for N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3cc(-c5ccccc5)c5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine?
The InChIKey is PTAQSSRNYZFGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N/c1-6-19-38(20-7-1)39-33-35-44(36-34-39)54(43-27-14-5-15-28-43)50-32-18-31-49-51(50)48-37-47(40-21-8-2-9-22-40)45-29-16-17-30-46(45)52(48)53(49,41-23-10-3-11-24-41)42-25-12-4-13-26-42/h1-37H.
What are the key properties of N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine?
N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-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,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine is sourced from PubChem (CID 170373364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).