11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine

C55H41N — CID 170372841

IUPAC11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc2-c2cc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C55H41N/c1-55(2)52-35-34-45(36-50(52)51-37-49(42-20-10-5-11-21-42)47-23-12-13-24-48(47)54(51)55)56(44-32-30-41(31-33-44)39-18-8-4-9-19-39)53-25-15-14-22-46(53)43-28-26-40(27-29-43)38-16-6-3-7-17-38/h3-37H,1-2H3
InChIKeyQUVKIDSUTLTVBA-UHFFFAOYSA-N
MW715.94 g/mol
LogP15.28
Rot. Bonds7

About 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine

11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine (PubChem CID 170372841) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine.

Molecular Properties

Compound Name11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
PubChem CID170372841
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC Name11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc2-c2cc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C55H41N/c1-55(2)52-35-34-45(36-50(52)51-37-49(42-20-10-5-11-21-42)47-23-12-13-24-48(47)54(51)55)56(44-32-30-41(31-33-44)39-18-8-4-9-19-39)53-25-15-14-22-46(53)43-28-26-40(27-29-43)38-16-6-3-7-17-38/h3-37H,1-2H3
InChIKeyQUVKIDSUTLTVBA-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372874
9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 167196960
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373587
2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 167197240
11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373009
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170139095
N-(4-benzo[c]phenanthren-5-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167182689
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159359844
8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373636
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902
9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790837
6,6,12,12-tetramethyl-7,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455841

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine?
The IUPAC name of 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine (CID 170372841) is 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine.
What is the SMILES notation for 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine?
The canonical SMILES for 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine is CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc2-c2cc(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine?
The InChIKey is QUVKIDSUTLTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)52-35-34-45(36-50(52)51-37-49(42-20-10-5-11-21-42)47-23-12-13-24-48(47)54(51)55)56(44-32-30-41(31-33-44)39-18-8-4-9-19-39)53-25-15-14-22-46(53)43-28-26-40(27-29-43)38-16-6-3-7-17-38/h3-37H,1-2H3.
What are the key properties of 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine?
11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine has a molecular weight of 715.94 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine is sourced from PubChem (CID 170372841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).