N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

C63H43N — CID 155304018

IUPACN-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C63H43N/c1-4-18-46(19-5-1)53-25-12-13-26-54(53)47-34-32-44(33-35-47)45-36-38-51(39-37-45)64(62-42-48-20-10-11-27-55(48)56-28-14-15-30-58(56)62)52-40-41-61-59(43-52)57-29-16-17-31-60(57)63(61,49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-43H
InChIKeyRBXWTIAUWYHQNC-UHFFFAOYSA-N
MW814.04 g/mol
LogP16.83
Rot. Bonds8

About N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 155304018) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID155304018
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C63H43N/c1-4-18-46(19-5-1)53-25-12-13-26-54(53)47-34-32-44(33-35-47)45-36-38-51(39-37-45)64(62-42-48-20-10-11-27-55(48)56-28-14-15-30-58(56)62)52-40-41-61-59(43-52)57-29-16-17-31-60(57)63(61,49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-43H
InChIKeyRBXWTIAUWYHQNC-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-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
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-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585
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-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
3-N-(10,10-diphenyl-21-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N-phenyl-1-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052292
N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 121400531
N-(9,9-diphenylfluoren-3-yl)-N-phenanthren-9-yldibenzothiophen-2-amine
CID 155305066

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 155304018) is N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is RBXWTIAUWYHQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-4-18-46(19-5-1)53-25-12-13-26-54(53)47-34-32-44(33-35-47)45-36-38-51(39-37-45)64(62-42-48-20-10-11-27-55(48)56-28-14-15-30-58(56)62)52-40-41-61-59(43-52)57-29-16-17-31-60(57)63(61,49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]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-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).