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

C66H45N — CID 169064063

IUPACN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3ccc3ccccc34)c21
InChIInChI=1S/C66H45N/c1-66(48-26-9-4-10-27-48)59-35-17-15-31-54(59)57-34-20-38-62(65(57)66)67(61-37-19-33-51-49-28-12-11-21-44(49)39-42-55(51)61)60-36-18-16-29-50(60)47-40-41-53-52-30-13-14-32-56(52)63(45-22-5-2-6-23-45)64(58(53)43-47)46-24-7-3-8-25-46/h2-43H,1H3
InChIKeyVDAVKMODOHDUBG-UHFFFAOYSA-N
MW852.09 g/mol
LogP18.10
Rot. Bonds7

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

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine (PubChem CID 169064063) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine.

Molecular Properties

Compound NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine
PubChem CID169064063
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3ccc3ccccc34)c21
InChIInChI=1S/C66H45N/c1-66(48-26-9-4-10-27-48)59-35-17-15-31-54(59)57-34-20-38-62(65(57)66)67(61-37-19-33-51-49-28-12-11-21-44(49)39-42-55(51)61)60-36-18-16-29-50(60)47-40-41-53-52-30-13-14-32-56(52)63(45-22-5-2-6-23-45)64(58(53)43-47)46-24-7-3-8-25-46/h2-43H,1H3
InChIKeyVDAVKMODOHDUBG-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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine
CID 169063787
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169061823
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-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063963
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-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine
CID 169062329
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine
CID 169064811
N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine
CID 169061763
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]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169064692

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine?
The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine (CID 169064063) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine.
What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine?
The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine is CC1(c2ccccc2)c2ccccc2-c2cccc(N(c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3ccc3ccccc34)c21.
What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine?
The InChIKey is VDAVKMODOHDUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-66(48-26-9-4-10-27-48)59-35-17-15-31-54(59)57-34-20-38-62(65(57)66)67(61-37-19-33-51-49-28-12-11-21-44(49)39-42-55(51)61)60-36-18-16-29-50(60)47-40-41-53-52-30-13-14-32-56(52)63(45-22-5-2-6-23-45)64(58(53)43-47)46-24-7-3-8-25-46/h2-43H,1H3.
What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine?
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-1-amine is sourced from PubChem (CID 169064063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).