N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine

C56H39N — CID 169064957

IUPACN-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4ccccc34)cc21
InChIInChI=1S/C56H39N/c1-56(41-24-9-4-10-25-41)51-30-16-15-28-47(51)48-35-33-43(37-52(48)56)57(53-31-17-23-38-18-11-12-26-44(38)53)42-32-34-46-45-27-13-14-29-49(45)54(39-19-5-2-6-20-39)55(50(46)36-42)40-21-7-3-8-22-40/h2-37H,1H3
InChIKeyJVAXFAWJSOUSEN-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.28
Rot. Bonds6

About N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine

N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine (PubChem CID 169064957) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
PubChem CID169064957
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4ccccc34)cc21
InChIInChI=1S/C56H39N/c1-56(41-24-9-4-10-25-41)51-30-16-15-28-47(51)48-35-33-43(37-52(48)56)57(53-31-17-23-38-18-11-12-26-44(38)53)42-32-34-46-45-27-13-14-29-49(45)54(39-19-5-2-6-20-39)55(50(46)36-42)40-21-7-3-8-22-40/h2-37H,1H3
InChIKeyJVAXFAWJSOUSEN-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.28
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-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine
CID 169062329
N-(9-methyl-9-phenylfluoren-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062955
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine
CID 169064811
N-(9-methyl-9-phenylfluoren-2-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062785
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169061823
N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine
CID 169061763
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063963
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenylfluoren-3-amine
CID 169065352
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
CID 169063657
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine (CID 169064957) is N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine?
The InChIKey is JVAXFAWJSOUSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-56(41-24-9-4-10-25-41)51-30-16-15-28-47(51)48-35-33-43(37-52(48)56)57(53-31-17-23-38-18-11-12-26-44(38)53)42-32-34-46-45-27-13-14-29-49(45)54(39-19-5-2-6-20-39)55(50(46)36-42)40-21-7-3-8-22-40/h2-37H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine?
N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine has a molecular weight of 725.94 g/mol, XLogP of 15.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169064957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).