N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine

C61H45N — CID 167219111

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc21
InChIInChI=1S/C61H45N/c1-60(2)53-32-18-17-28-48(53)49-36-34-43(38-55(49)60)62(59-51-30-16-14-27-47(51)46-26-13-15-29-50(46)57(59)41-22-9-5-10-23-41)44-35-37-52-56(39-44)61(3,42-24-11-6-12-25-42)54-33-19-31-45(58(52)54)40-20-7-4-8-21-40/h4-39H,1-3H3
InChIKeyOATXOTJJNSHNSW-UHFFFAOYSA-N
MW792.04 g/mol
LogP16.44
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine (PubChem CID 167219111) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
PubChem CID167219111
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc21
InChIInChI=1S/C61H45N/c1-60(2)53-32-18-17-28-48(53)49-36-34-43(38-55(49)60)62(59-51-30-16-14-27-47(51)46-26-13-15-29-50(46)57(59)41-22-9-5-10-23-41)44-35-37-52-56(39-44)61(3,42-24-11-6-12-25-42)54-33-19-31-45(58(52)54)40-20-7-4-8-21-40/h4-39H,1-3H3
InChIKeyOATXOTJJNSHNSW-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
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'}

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine
CID 167218668
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453114
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155304597
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
CID 167218672
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine
CID 155305640
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
N-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446
N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169064957

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine (CID 167219111) is N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine?
The InChIKey is OATXOTJJNSHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-60(2)53-32-18-17-28-48(53)49-36-34-43(38-55(49)60)62(59-51-30-16-14-27-47(51)46-26-13-15-29-50(46)57(59)41-22-9-5-10-23-41)44-35-37-52-56(39-44)61(3,42-24-11-6-12-25-42)54-33-19-31-45(58(52)54)40-20-7-4-8-21-40/h4-39H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine has a molecular weight of 792.04 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-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine is sourced from PubChem (CID 167219111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).