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

C59H41N — CID 170373501

IUPAC8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccc(-c5ccccc5)cc3-4)cc2)cc1
InChIInChI=1S/C59H41N/c1-6-18-42(19-7-1)45-30-35-50(36-31-45)60(51-37-32-46(33-38-51)43-20-8-2-9-21-43)57-41-55-54-40-47(44-22-10-3-11-23-44)34-39-56(54)59(48-24-12-4-13-25-48,49-26-14-5-15-27-49)58(55)53-29-17-16-28-52(53)57/h1-41H
InChIKeyVALQHHPIBMQBPN-UHFFFAOYSA-N
MW763.98 g/mol
LogP15.67
Rot. Bonds8

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

8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine (PubChem CID 170373501) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine.

Molecular Properties

Compound Name8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
PubChem CID170373501
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC Name8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccc(-c5ccccc5)cc3-4)cc2)cc1
InChIInChI=1S/C59H41N/c1-6-18-42(19-7-1)45-30-35-50(36-31-45)60(51-37-32-46(33-38-51)43-20-8-2-9-21-43)57-41-55-54-40-47(44-22-10-3-11-23-44)34-39-56(54)59(48-24-12-4-13-25-48,49-26-14-5-15-27-49)58(55)53-29-17-16-28-52(53)57/h1-41H
InChIKeyVALQHHPIBMQBPN-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

N,8,11,11-tetraphenyl-N-(2-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373494
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
8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373636
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N,5,11,11-tetraphenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373364
N-[4-(10,10-diphenylindeno[1,2-b][1]benzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156549425
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170373487

Frequently Asked Questions

What is the IUPAC name of 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine?
The IUPAC name of 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine (CID 170373501) is 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine.
What is the SMILES notation for 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine?
The canonical SMILES for 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)C(c3ccccc3)(c3ccccc3)c3ccc(-c5ccccc5)cc3-4)cc2)cc1.
What is the InChIKey of 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine?
The InChIKey is VALQHHPIBMQBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-6-18-42(19-7-1)45-30-35-50(36-31-45)60(51-37-32-46(33-38-51)43-20-8-2-9-21-43)57-41-55-54-40-47(44-22-10-3-11-23-44)34-39-56(54)59(48-24-12-4-13-25-48,49-26-14-5-15-27-49)58(55)53-29-17-16-28-52(53)57/h1-41H.
What are the key properties of 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine?
8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-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 8,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine is sourced from PubChem (CID 170373501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).