N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

C65H47N — CID 168789557

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C65H47N/c1-65(2)61-30-16-15-27-57(61)58-41-36-48(43-62(58)65)44-32-37-50(38-33-44)66(51-39-34-47(35-40-51)60-42-49-22-9-10-24-53(49)55-25-12-13-26-56(55)60)63-31-17-29-54(46-20-7-4-8-21-46)64(63)59-28-14-11-23-52(59)45-18-5-3-6-19-45/h3-43H,1-2H3
InChIKeyGVGPIRWXJPAWHP-UHFFFAOYSA-N
MW842.10 g/mol
LogP18.10
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168789557) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168789557
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C65H47N/c1-65(2)61-30-16-15-27-57(61)58-41-36-48(43-62(58)65)44-32-37-50(38-33-44)66(51-39-34-47(35-40-51)60-42-49-22-9-10-24-53(49)55-25-12-13-26-56(55)60)63-31-17-29-54(46-20-7-4-8-21-46)64(63)59-28-14-11-23-52(59)45-18-5-3-6-19-45/h3-43H,1-2H3
InChIKeyGVGPIRWXJPAWHP-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
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

9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 177274461
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790736
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177274751
2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 170135025
9,9-dimethyl-N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166566462
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
9,9-dimethyl-N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789148
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168789557) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is GVGPIRWXJPAWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-65(2)61-30-16-15-27-57(61)58-41-36-48(43-62(58)65)44-32-37-50(38-33-44)66(51-39-34-47(35-40-51)60-42-49-22-9-10-24-53(49)55-25-12-13-26-56(55)60)63-31-17-29-54(46-20-7-4-8-21-46)64(63)59-28-14-11-23-52(59)45-18-5-3-6-19-45/h3-43H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline has a molecular weight of 842.10 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168789557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).