11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine

C57H41N — CID 177274467

IUPAC11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccccc3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H41N/c1-57(2)53-36-42-21-10-9-20-41(42)34-52(53)49-33-32-45(37-54(49)57)58(44-30-28-39(29-31-44)38-16-5-3-6-17-38)55-27-15-26-50(56(55)40-18-7-4-8-19-40)51-35-43-22-11-12-23-46(43)47-24-13-14-25-48(47)51/h3-37H,1-2H3
InChIKeyLQLFFJKKBNWIJZ-UHFFFAOYSA-N
MW739.96 g/mol
LogP15.92
Rot. Bonds6

About 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine

11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine (PubChem CID 177274467) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine.

Molecular Properties

Compound Name11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
PubChem CID177274467
Molecular FormulaC57H41N
Molecular Weight739.96 g/mol
Exact Mass739.32
IUPAC Name11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccccc3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H41N/c1-57(2)53-36-42-21-10-9-20-41(42)34-52(53)49-33-32-45(37-54(49)57)58(44-30-28-39(29-31-44)38-16-5-3-6-17-38)55-27-15-26-50(56(55)40-18-7-4-8-19-40)51-35-43-22-11-12-23-46(43)47-24-13-14-25-48(47)51/h3-37H,1-2H3
InChIKeyLQLFFJKKBNWIJZ-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.96
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177274581
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
CID 177274844
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
CID 166031628
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine
CID 170410839
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 177274461
9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 177274801
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The IUPAC name of 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine (CID 177274467) is 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine.
What is the SMILES notation for 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The canonical SMILES for 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccccc3)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The InChIKey is LQLFFJKKBNWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-57(2)53-36-42-21-10-9-20-41(42)34-52(53)49-33-32-45(37-54(49)57)58(44-30-28-39(29-31-44)38-16-5-3-6-17-38)55-27-15-26-50(56(55)40-18-7-4-8-19-40)51-35-43-22-11-12-23-46(43)47-24-13-14-25-48(47)51/h3-37H,1-2H3.
What are the key properties of 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine has a molecular weight of 739.96 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine is sourced from PubChem (CID 177274467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).