7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine

C61H45N — CID 167232078

IUPAC7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc3cccc1c23
InChIInChI=1S/C61H45N/c1-61(2)56-20-12-19-51-34-40-58(60(59(51)56)55-39-33-52(41-57(55)61)44-17-10-5-11-18-44)62(53-35-29-49(30-36-53)47-25-21-45(22-26-47)42-13-6-3-7-14-42)54-37-31-50(32-38-54)48-27-23-46(24-28-48)43-15-8-4-9-16-43/h3-41H,1-2H3
InChIKeyKWASKMGWELEFNG-UHFFFAOYSA-N
MW792.04 g/mol
LogP16.95
Rot. Bonds8

About 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine

7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine (PubChem CID 167232078) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine.

Molecular Properties

Compound Name7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
PubChem CID167232078
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC Name7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc3cccc1c23
InChIInChI=1S/C61H45N/c1-61(2)56-20-12-19-51-34-40-58(60(59(51)56)55-39-33-52(41-57(55)61)44-17-10-5-11-18-44)62(53-35-29-49(30-36-53)47-25-21-45(22-26-47)42-13-6-3-7-14-42)54-37-31-50(32-38-54)48-27-23-46(24-28-48)43-15-8-4-9-16-43/h3-41H,1-2H3
InChIKeyKWASKMGWELEFNG-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine with MolForge

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Related Compounds

7,7-dimethyl-9-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232547
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
N-(7,7-dimethyl-9-phenylbenzo[a]phenalen-1-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232118
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)fluoranthen-1-amine
CID 139498825
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232212
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
7,7-dimethyl-9-phenanthren-9-yl-N,N-diphenylbenzo[a]phenalen-1-amine
CID 167232260
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232111
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-(9,9-dimethyl-2,7-diphenylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)fluoranthen-1-amine
CID 139499012

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine?
The IUPAC name of 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine (CID 167232078) is 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine.
What is the SMILES notation for 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine?
The canonical SMILES for 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc3cccc1c23.
What is the InChIKey of 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine?
The InChIKey is KWASKMGWELEFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-61(2)56-20-12-19-51-34-40-58(60(59(51)56)55-39-33-52(41-57(55)61)44-17-10-5-11-18-44)62(53-35-29-49(30-36-53)47-25-21-45(22-26-47)42-13-6-3-7-14-42)54-37-31-50(32-38-54)48-27-23-46(24-28-48)43-15-8-4-9-16-43/h3-41H,1-2H3.
What are the key properties of 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine?
7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine has a molecular weight of 792.04 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine is sourced from PubChem (CID 167232078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).