N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine

C63H43N — CID 155303585

IUPACN-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)ccc2-3)cc1
InChIInChI=1S/C63H43N/c1-5-19-44(20-6-1)47-35-39-57-58-40-38-52(43-61(58)63(60(57)41-47,49-24-9-3-10-25-49)50-26-11-4-12-27-50)64(62-42-48-23-13-14-30-55(48)56-31-17-18-32-59(56)62)51-36-33-46(34-37-51)54-29-16-15-28-53(54)45-21-7-2-8-22-45/h1-43H
InChIKeySXLUSOHNFDQRDN-UHFFFAOYSA-N
MW814.04 g/mol
LogP16.83
Rot. Bonds8

About N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine

N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine (PubChem CID 155303585) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
PubChem CID155303585
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC NameN-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)ccc2-3)cc1
InChIInChI=1S/C63H43N/c1-5-19-44(20-6-1)47-35-39-57-58-40-38-52(43-61(58)63(60(57)41-47,49-24-9-3-10-25-49)50-26-11-4-12-27-50)64(62-42-48-23-13-14-30-55(48)56-31-17-18-32-59(56)62)51-36-33-46(34-37-51)54-29-16-15-28-53(54)45-21-7-2-8-22-45/h1-43H
InChIKeySXLUSOHNFDQRDN-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 516.83
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-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304763
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234612

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The IUPAC name of N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine (CID 155303585) is N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The canonical SMILES for N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)ccc2-3)cc1.
What is the InChIKey of N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The InChIKey is SXLUSOHNFDQRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-5-19-44(20-6-1)47-35-39-57-58-40-38-52(43-61(58)63(60(57)41-47,49-24-9-3-10-25-49)50-26-11-4-12-27-50)64(62-42-48-23-13-14-30-55(48)56-31-17-18-32-59(56)62)51-36-33-46(34-37-51)54-29-16-15-28-53(54)45-21-7-2-8-22-45/h1-43H.
What are the key properties of N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine has a molecular weight of 814.04 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine is sourced from PubChem (CID 155303585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).