N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine

C64H45N — CID 169063795

IUPACN-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)ccc21
InChIInChI=1S/C64H45N/c1-64(50-29-15-6-16-30-50)60-34-20-19-32-56(60)58-42-52(36-38-61(58)64)65(53-40-48(44-21-7-2-8-22-44)39-49(41-53)45-23-9-3-10-24-45)51-35-37-55-54-31-17-18-33-57(54)62(46-25-11-4-12-26-46)63(59(55)43-51)47-27-13-5-14-28-47/h2-43H,1H3
InChIKeySPIFOWTZDYGPPE-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.47
Rot. Bonds8

About N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine

N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169063795) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine
PubChem CID169063795
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)ccc21
InChIInChI=1S/C64H45N/c1-64(50-29-15-6-16-30-50)60-34-20-19-32-56(60)58-42-52(36-38-61(58)64)65(53-40-48(44-21-7-2-8-22-44)39-49(41-53)45-23-9-3-10-24-45)51-35-37-55-54-31-17-18-33-57(54)62(46-25-11-4-12-26-46)63(59(55)43-51)47-27-13-5-14-28-47/h2-43H,1H3
InChIKeySPIFOWTZDYGPPE-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-(3,5-diphenylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
CID 171453475
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine
CID 169063655
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-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine
CID 169064747
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453114
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenylfluoren-3-amine
CID 169065352
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 169064284
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine (CID 169063795) is N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)ccc21.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine?
The InChIKey is SPIFOWTZDYGPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-64(50-29-15-6-16-30-50)60-34-20-19-32-56(60)58-42-52(36-38-61(58)64)65(53-40-48(44-21-7-2-8-22-44)39-49(41-53)45-23-9-3-10-24-45)51-35-37-55-54-31-17-18-33-57(54)62(46-25-11-4-12-26-46)63(59(55)43-51)47-27-13-5-14-28-47/h2-43H,1H3.
What are the key properties of N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine?
N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-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-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169063795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).