4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline

C64H41N — CID 129302258

IUPAC4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc(-c7cc(-c8ccc9c(ccc%10ccccc%109)c8)nc8ccccc78)cc6)ccc5c4)cc32)cc1
InChIInChI=1S/C64H41N/c1-3-14-52(15-4-1)64(53-16-5-2-6-17-53)60-21-11-9-19-56(60)57-36-33-49(40-61(57)64)48-31-30-46-37-45(28-29-47(46)38-48)42-23-25-44(26-24-42)59-41-63(65-62-22-12-10-20-58(59)62)51-34-35-55-50(39-51)32-27-43-13-7-8-18-54(43)55/h1-41H
InChIKeyQFQKVKHKSSOLDG-UHFFFAOYSA-N
MW824.04 g/mol
LogP16.73
Rot. Bonds6

About 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline

4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline (PubChem CID 129302258) has the molecular formula C64H41N and a molecular weight of 824.04 g/mol. Its IUPAC name is 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline.

Molecular Properties

Compound Name4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline
PubChem CID129302258
Molecular FormulaC64H41N
Molecular Weight824.04 g/mol
Exact Mass823.32
IUPAC Name4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc(-c7cc(-c8ccc9c(ccc%10ccccc%109)c8)nc8ccccc78)cc6)ccc5c4)cc32)cc1
InChIInChI=1S/C64H41N/c1-3-14-52(15-4-1)64(53-16-5-2-6-17-53)60-21-11-9-19-56(60)57-36-33-49(40-61(57)64)48-31-30-46-37-45(28-29-47(46)38-48)42-23-25-44(26-24-42)59-41-63(65-62-22-12-10-20-58(59)62)51-34-35-55-50(39-51)32-27-43-13-7-8-18-54(43)55/h1-41H
InChIKeyQFQKVKHKSSOLDG-UHFFFAOYSA-N
XLogP16.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 516.73
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

2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
CID 129302329
7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline
CID 145340862
4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632236
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline
CID 129302449
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 161164910
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine
CID 122416419
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-(2,4-diphenylphenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003640
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline?
The IUPAC name of 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline (CID 129302258) is 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline.
What is the SMILES notation for 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline?
The canonical SMILES for 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc(-c7cc(-c8ccc9c(ccc%10ccccc%109)c8)nc8ccccc78)cc6)ccc5c4)cc32)cc1.
What is the InChIKey of 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline?
The InChIKey is QFQKVKHKSSOLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N/c1-3-14-52(15-4-1)64(53-16-5-2-6-17-53)60-21-11-9-19-56(60)57-36-33-49(40-61(57)64)48-31-30-46-37-45(28-29-47(46)38-48)42-23-25-44(26-24-42)59-41-63(65-62-22-12-10-20-58(59)62)51-34-35-55-50(39-51)32-27-43-13-7-8-18-54(43)55/h1-41H.
What are the key properties of 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline?
4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline has a molecular weight of 824.04 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline is sourced from PubChem (CID 129302258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).