N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine

C66H45N — CID 169063963

IUPACN-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21
InChIInChI=1S/C66H45N/c1-66(50-23-9-4-10-24-50)61-30-16-15-27-57(61)59-29-17-31-62(65(59)66)67(51-37-34-44(35-38-51)48-36-40-54-49(42-48)33-32-45-18-11-12-25-53(45)54)52-39-41-56-55-26-13-14-28-58(55)63(46-19-5-2-6-20-46)64(60(56)43-52)47-21-7-3-8-22-47/h2-43H,1H3
InChIKeyRLCYRVHOGMSQRN-UHFFFAOYSA-N
MW852.09 g/mol
LogP18.10
Rot. Bonds7

About N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine

N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169063963) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
PubChem CID169063963
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC NameN-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21
InChIInChI=1S/C66H45N/c1-66(50-23-9-4-10-24-50)61-30-16-15-27-57(61)59-29-17-31-62(65(59)66)67(51-37-34-44(35-38-51)48-36-40-54-49(42-48)33-32-45-18-11-12-25-53(45)54)52-39-41-56-55-26-13-14-28-58(55)63(46-19-5-2-6-20-46)64(60(56)43-52)47-21-7-3-8-22-47/h2-43H,1H3
InChIKeyRLCYRVHOGMSQRN-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 518.10
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-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169061823
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
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-1-yl)-N,9,10-triphenylphenanthren-2-amine
CID 169061763
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-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
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine
CID 169064063
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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
CID 169063657
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine (CID 169063963) is N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The InChIKey is RLCYRVHOGMSQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-66(50-23-9-4-10-24-50)61-30-16-15-27-57(61)59-29-17-31-62(65(59)66)67(51-37-34-44(35-38-51)48-36-40-54-49(42-48)33-32-45-18-11-12-25-53(45)54)52-39-41-56-55-26-13-14-28-58(55)63(46-19-5-2-6-20-46)64(60(56)43-52)47-21-7-3-8-22-47/h2-43H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine?
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine has a molecular weight of 852.09 g/mol, XLogP of 18.10, 7 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-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169063963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).