9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine

C60H41N — CID 142614739

IUPAC9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cccc21
InChIInChI=1S/C60H41N/c1-60(44-20-3-2-4-21-44)56-30-14-13-29-53(56)59-57(60)31-16-32-58(59)61(45-35-33-40(34-36-45)54-38-42-17-5-7-23-47(42)49-25-9-11-27-51(49)54)46-22-15-19-41(37-46)55-39-43-18-6-8-24-48(43)50-26-10-12-28-52(50)55/h2-39H,1H3
InChIKeyNVRNXVWYXXIGRZ-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.44
Rot. Bonds6

About 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine

9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine (PubChem CID 142614739) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine.

Molecular Properties

Compound Name9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine
PubChem CID142614739
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC Name9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cccc21
InChIInChI=1S/C60H41N/c1-60(44-20-3-2-4-21-44)56-30-14-13-29-53(56)59-57(60)31-16-32-58(59)61(45-35-33-40(34-36-45)54-38-42-17-5-7-23-47(42)49-25-9-11-27-51(49)54)46-22-15-19-41(37-46)55-39-43-18-6-8-24-48(43)50-26-10-12-28-52(50)55/h2-39H,1H3
InChIKeyNVRNXVWYXXIGRZ-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.44
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

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 139499016
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020096
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine
CID 171453614
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine?
The IUPAC name of 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine (CID 142614739) is 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine.
What is the SMILES notation for 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine?
The canonical SMILES for 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3)cccc21.
What is the InChIKey of 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine?
The InChIKey is NVRNXVWYXXIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-60(44-20-3-2-4-21-44)56-30-14-13-29-53(56)59-57(60)31-16-32-58(59)61(45-35-33-40(34-36-45)54-38-42-17-5-7-23-47(42)49-25-9-11-27-51(49)54)46-22-15-19-41(37-46)55-39-43-18-6-8-24-48(43)50-26-10-12-28-52(50)55/h2-39H,1H3.
What are the key properties of 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine?
9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine has a molecular weight of 776.00 g/mol, XLogP of 16.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine is sourced from PubChem (CID 142614739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).