N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine

C52H39N — CID 164929478

IUPACN-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cc4ccccc4c4c3-c3ccccc3C4(C)C)c3cc4ccccc4c4ccccc34)cc3ccccc3c21
InChIInChI=1S/C52H39N/c1-51(2)42-27-15-13-25-40(42)47-45(30-33-18-6-9-21-36(33)49(47)51)53(44-29-32-17-5-8-20-35(32)38-23-11-12-24-39(38)44)46-31-34-19-7-10-22-37(34)50-48(46)41-26-14-16-28-43(41)52(50,3)4/h5-31H,1-4H3
InChIKeyDBFJJVJDQATFSU-UHFFFAOYSA-N
MW677.89 g/mol
LogP14.38
Rot. Bonds3

About N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine

N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine (PubChem CID 164929478) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine
PubChem CID164929478
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC NameN-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cc4ccccc4c4c3-c3ccccc3C4(C)C)c3cc4ccccc4c4ccccc34)cc3ccccc3c21
InChIInChI=1S/C52H39N/c1-51(2)42-27-15-13-25-40(42)47-45(30-33-18-6-9-21-36(33)49(47)51)53(44-29-32-17-5-8-20-35(32)38-23-11-12-24-39(38)44)46-31-34-19-7-10-22-37(34)50-48(46)41-26-14-16-28-43(41)52(50,3)4/h5-31H,1-4H3
InChIKeyDBFJJVJDQATFSU-UHFFFAOYSA-N
XLogP14.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine with MolForge

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Related Compounds

N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-(4-phenanthren-9-ylphenyl)benzo[a]fluoren-6-amine
CID 164929229
N-[2-(9,9-dimethylfluoren-1-yl)-3-phenylphenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 170665784
N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine
CID 164929497
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929438
11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929259
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-N,N-diphenylnaphthalen-1-amine
CID 170412509
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 168789566
11,11-dimethyl-N-naphthalen-2-yl-N-(9,9,10,10-tetramethylphenanthren-2-yl)benzo[a]fluoren-6-amine
CID 163620727
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine?
The IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine (CID 164929478) is N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3cc4ccccc4c4c3-c3ccccc3C4(C)C)c3cc4ccccc4c4ccccc34)cc3ccccc3c21.
What is the InChIKey of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine?
The InChIKey is DBFJJVJDQATFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-51(2)42-27-15-13-25-40(42)47-45(30-33-18-6-9-21-36(33)49(47)51)53(44-29-32-17-5-8-20-35(32)38-23-11-12-24-39(38)44)46-31-34-19-7-10-22-37(34)50-48(46)41-26-14-16-28-43(41)52(50,3)4/h5-31H,1-4H3.
What are the key properties of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine?
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine has a molecular weight of 677.89 g/mol, XLogP of 14.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-phenanthren-9-ylbenzo[a]fluoren-6-amine is sourced from PubChem (CID 164929478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).