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

C60H41N — CID 169062329

IUPACN-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3ccc3ccccc34)cc21
InChIInChI=1S/C60H41N/c1-60(43-23-9-4-10-24-43)55-30-16-15-27-50(55)51-37-34-45(39-56(51)60)61(57-31-17-29-47-46-25-12-11-18-40(46)32-35-52(47)57)44-33-36-49-48-26-13-14-28-53(48)58(41-19-5-2-6-20-41)59(54(49)38-44)42-21-7-3-8-22-42/h2-39H,1H3
InChIKeyGUFMHNSXXORXLS-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.44
Rot. Bonds6

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

N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine (PubChem CID 169062329) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine
PubChem CID169062329
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3ccc3ccccc34)cc21
InChIInChI=1S/C60H41N/c1-60(43-23-9-4-10-24-43)55-30-16-15-27-50(55)51-37-34-45(39-56(51)60)61(57-31-17-29-47-46-25-12-11-18-40(46)32-35-52(47)57)44-33-36-49-48-26-13-14-28-53(48)58(41-19-5-2-6-20-41)59(54(49)38-44)42-21-7-3-8-22-42/h2-39H,1H3
InChIKeyGUFMHNSXXORXLS-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-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169064957
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062955
N-(9-methyl-9-phenylfluoren-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169061823
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-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063963
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,9,10-triphenylphenanthren-2-amine
CID 169061763
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
CID 169063657
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-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine
CID 170115716
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 169064284

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine (CID 169062329) is N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3ccc3ccccc34)cc21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine?
The InChIKey is GUFMHNSXXORXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-60(43-23-9-4-10-24-43)55-30-16-15-27-50(55)51-37-34-45(39-56(51)60)61(57-31-17-29-47-46-25-12-11-18-40(46)32-35-52(47)57)44-33-36-49-48-26-13-14-28-53(48)58(41-19-5-2-6-20-41)59(54(49)38-44)42-21-7-3-8-22-42/h2-39H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine?
N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-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 N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169062329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).