N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine

C68H47N — CID 169063657

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)cc21
InChIInChI=1S/C68H47N/c1-68(54-23-9-4-10-24-54)64-28-16-15-26-60(64)61-42-40-57(45-65(61)68)69(55-36-31-47(32-37-55)52-30-29-46-17-11-12-22-51(46)43-52)56-38-33-48(34-39-56)53-35-41-59-58-25-13-14-27-62(58)66(49-18-5-2-6-19-49)67(63(59)44-53)50-20-7-3-8-21-50/h2-45H,1H3
InChIKeyQPPPFOPWVZXDQX-UHFFFAOYSA-N
MW878.13 g/mol
LogP18.62
Rot. Bonds8

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine (PubChem CID 169063657) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
PubChem CID169063657
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)cc21
InChIInChI=1S/C68H47N/c1-68(54-23-9-4-10-24-54)64-28-16-15-26-60(64)61-42-40-57(45-65(61)68)69(55-36-31-47(32-37-55)52-30-29-46-17-11-12-22-51(46)43-52)56-38-33-48(34-39-56)53-35-41-59-58-25-13-14-27-62(58)66(49-18-5-2-6-19-49)67(63(59)44-53)50-20-7-3-8-21-50/h2-45H,1H3
InChIKeyQPPPFOPWVZXDQX-UHFFFAOYSA-N
XLogP18.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 518.62
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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 169064284
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-N-naphthalen-2-yl-9-phenylfluoren-2-amine
CID 169064811
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062955
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
9-methyl-7-naphthalen-2-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118500390
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine
CID 169063655
N-(9,9-dimethylfluoren-2-yl)-9-methyl-7-naphthalen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118188570
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-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169064957
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine
CID 169064747
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine (CID 169063657) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)cc21.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine?
The InChIKey is QPPPFOPWVZXDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-68(54-23-9-4-10-24-54)64-28-16-15-26-60(64)61-42-40-57(45-65(61)68)69(55-36-31-47(32-37-55)52-30-29-46-17-11-12-22-51(46)43-52)56-38-33-48(34-39-56)53-35-41-59-58-25-13-14-27-62(58)66(49-18-5-2-6-19-49)67(63(59)44-53)50-20-7-3-8-21-50/h2-45H,1H3.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine has a molecular weight of 878.13 g/mol, XLogP of 18.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 169063657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).