5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine

C59H41N — CID 170373346

IUPAC5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc(-c5ccccc5)c5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C59H41N/c1-6-18-42(19-7-1)44-30-34-49(35-31-44)60(50-36-32-45(33-37-50)43-20-8-2-9-21-43)51-38-39-57-55(40-51)56-41-54(46-22-10-3-11-23-46)52-28-16-17-29-53(52)58(56)59(57,47-24-12-4-13-25-47)48-26-14-5-15-27-48/h1-41H
InChIKeyIKKKIMZKWOQDGV-UHFFFAOYSA-N
MW763.98 g/mol
LogP15.67
Rot. Bonds8

About 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine

5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine (PubChem CID 170373346) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine.

Molecular Properties

Compound Name5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine
PubChem CID170373346
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC Name5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc(-c5ccccc5)c5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C59H41N/c1-6-18-42(19-7-1)44-30-34-49(35-31-44)60(50-36-32-45(33-37-50)43-20-8-2-9-21-43)51-38-39-57-55(40-51)56-41-54(46-22-10-3-11-23-46)52-28-16-17-29-53(52)58(56)59(57,47-24-12-4-13-25-47)48-26-14-5-15-27-48/h1-41H
InChIKeyIKKKIMZKWOQDGV-UHFFFAOYSA-N
XLogP15.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 515.67
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
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372874
N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373364
N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373494
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 177067780
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
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

Frequently Asked Questions

What is the IUPAC name of 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine?
The IUPAC name of 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine (CID 170373346) is 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine.
What is the SMILES notation for 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine?
The canonical SMILES for 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc(-c5ccccc5)c5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine?
The InChIKey is IKKKIMZKWOQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-6-18-42(19-7-1)44-30-34-49(35-31-44)60(50-36-32-45(33-37-50)43-20-8-2-9-21-43)51-38-39-57-55(40-51)56-41-54(46-22-10-3-11-23-46)52-28-16-17-29-53(52)58(56)59(57,47-24-12-4-13-25-47)48-26-14-5-15-27-48/h1-41H.
What are the key properties of 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine?
5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine has a molecular weight of 763.98 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine is sourced from PubChem (CID 170373346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).