N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine

C64H45N — CID 169062154

IUPACN-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21
InChIInChI=1S/C64H45N/c1-64(50-25-12-5-13-26-50)59-31-17-16-28-55(59)57-30-18-32-60(63(57)64)65(51-39-37-47(38-40-51)46-35-33-45(34-36-46)44-19-6-2-7-20-44)52-41-42-54-53-27-14-15-29-56(53)61(48-21-8-3-9-22-48)62(58(54)43-52)49-23-10-4-11-24-49/h2-43H,1H3
InChIKeyBATVYYMMLRCOGA-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.47
Rot. Bonds8

About N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine

N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine (PubChem CID 169062154) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
PubChem CID169062154
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21
InChIInChI=1S/C64H45N/c1-64(50-25-12-5-13-26-50)59-31-17-16-28-55(59)57-30-18-32-60(63(57)64)65(51-39-37-47(38-40-51)46-35-33-45(34-36-46)44-19-6-2-7-20-44)52-41-42-54-53-27-14-15-29-56(53)61(48-21-8-3-9-22-48)62(58(54)43-52)49-23-10-4-11-24-49/h2-43H,1H3
InChIKeyBATVYYMMLRCOGA-UHFFFAOYSA-N
XLogP17.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 517.47
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-1-yl)-N,9,10-triphenylphenanthren-2-amine
CID 169061763
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-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063963
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenylfluoren-1-amine
CID 169063994
N-(9-methyl-9-phenylfluoren-2-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062785
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine
CID 169063787
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-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169064957
N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine
CID 169062329
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062955

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine (CID 169062154) is N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is BATVYYMMLRCOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-64(50-25-12-5-13-26-50)59-31-17-16-28-55(59)57-30-18-32-60(63(57)64)65(51-39-37-47(38-40-51)46-35-33-45(34-36-46)44-19-6-2-7-20-44)52-41-42-54-53-27-14-15-29-56(53)61(48-21-8-3-9-22-48)62(58(54)43-52)49-23-10-4-11-24-49/h2-43H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine?
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 828.07 g/mol, XLogP of 17.47, 8 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-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 169062154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).