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

C52H37N — CID 169061763

IUPACN-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21
InChIInChI=1S/C52H37N/c1-52(38-23-10-4-11-24-38)47-31-17-16-28-43(47)45-30-18-32-48(51(45)52)53(39-25-12-5-13-26-39)40-33-34-42-41-27-14-15-29-44(41)49(36-19-6-2-7-20-36)50(46(42)35-40)37-21-8-3-9-22-37/h2-35H,1H3
InChIKeyKARHKLPILOXGOV-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.13
Rot. Bonds6

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

N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine (PubChem CID 169061763) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine
PubChem CID169061763
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21
InChIInChI=1S/C52H37N/c1-52(38-23-10-4-11-24-38)47-31-17-16-28-43(47)45-30-18-32-48(51(45)52)53(39-25-12-5-13-26-39)40-33-34-42-41-27-14-15-29-44(41)49(36-19-6-2-7-20-36)50(46(42)35-40)37-21-8-3-9-22-37/h2-35H,1H3
InChIKeyKARHKLPILOXGOV-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.13
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)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
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-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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine
CID 169063787
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
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)-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-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308572

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine (CID 169061763) is N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine?
The InChIKey is KARHKLPILOXGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-52(38-23-10-4-11-24-38)47-31-17-16-28-43(47)45-30-18-32-48(51(45)52)53(39-25-12-5-13-26-39)40-33-34-42-41-27-14-15-29-44(41)49(36-19-6-2-7-20-36)50(46(42)35-40)37-21-8-3-9-22-37/h2-35H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine?
N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine has a molecular weight of 675.88 g/mol, XLogP of 14.13, 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-1-yl)-N,9,10-triphenylphenanthren-2-amine is sourced from PubChem (CID 169061763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).