N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine

C46H34N2 — CID 122422700

IUPACN-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)c(-c4ccc(-c5cccc6ccc7cccnc7c56)cc4)c3)cc21
InChIInChI=1S/C46H34N2/c1-46(2)42-16-7-6-14-39(42)40-26-24-36(29-43(40)46)48-35-23-25-37(30-10-4-3-5-11-30)41(28-35)32-19-17-31(18-20-32)38-15-8-12-33-21-22-34-13-9-27-47-45(34)44(33)38/h3-29,48H,1-2H3
InChIKeyNILRYXUGANBQLF-UHFFFAOYSA-N
MW614.79 g/mol
LogP12.44
Rot. Bonds5

About N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine

N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 122422700) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
PubChem CID122422700
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC NameN-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)c(-c4ccc(-c5cccc6ccc7cccnc7c56)cc4)c3)cc21
InChIInChI=1S/C46H34N2/c1-46(2)42-16-7-6-14-39(42)40-26-24-36(29-43(40)46)48-35-23-25-37(30-10-4-3-5-11-30)41(28-35)32-19-17-31(18-20-32)38-15-8-12-33-21-22-34-13-9-27-47-45(34)44(33)38/h3-29,48H,1-2H3
InChIKeyNILRYXUGANBQLF-UHFFFAOYSA-N
XLogP12.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 512.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline
CID 146301055
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342054
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline
CID 155765153
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
5-(6-benzo[h]quinolin-10-yl-9-phenylcarbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118003381
9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine
CID 175703118
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167253385

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine (CID 122422700) is N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)c(-c4ccc(-c5cccc6ccc7cccnc7c56)cc4)c3)cc21.
What is the InChIKey of N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is NILRYXUGANBQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-46(2)42-16-7-6-14-39(42)40-26-24-36(29-43(40)46)48-35-23-25-37(30-10-4-3-5-11-30)41(28-35)32-19-17-31(18-20-32)38-15-8-12-33-21-22-34-13-9-27-47-45(34)44(33)38/h3-29,48H,1-2H3.
What are the key properties of N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine?
N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 614.79 g/mol, XLogP of 12.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 122422700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).