7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline

C64H43N — CID 145340862

IUPAC7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc7c(-c8ccccc8)cc(-c8ccc9c(ccc%10ccccc%109)c8)nc7c6)ccc5c4)cc32)=CCC1
InChIInChI=1S/C64H43N/c1-4-14-42(15-5-1)59-41-62(51-32-33-55-50(38-51)29-24-43-16-10-11-21-54(43)55)65-63-40-49(31-35-58(59)63)47-28-26-44-36-46(27-25-45(44)37-47)48-30-34-57-56-22-12-13-23-60(56)64(61(57)39-48,52-17-6-2-7-18-52)53-19-8-3-9-20-53/h1-2,4-8,10-41H,3,9H2
InChIKeyAHRXVHLCYLBFDM-UHFFFAOYSA-N
MW826.05 g/mol
LogP16.95
Rot. Bonds6

About 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline

7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline (PubChem CID 145340862) has the molecular formula C64H43N and a molecular weight of 826.05 g/mol. Its IUPAC name is 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline.

Molecular Properties

Compound Name7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline
PubChem CID145340862
Molecular FormulaC64H43N
Molecular Weight826.05 g/mol
Exact Mass825.34
IUPAC Name7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc7c(-c8ccccc8)cc(-c8ccc9c(ccc%10ccccc%109)c8)nc7c6)ccc5c4)cc32)=CCC1
InChIInChI=1S/C64H43N/c1-4-14-42(15-5-1)59-41-62(51-32-33-55-50(38-51)29-24-43-16-10-11-21-54(43)55)65-63-40-49(31-35-58(59)63)47-28-26-44-36-46(27-25-45(44)37-47)48-30-34-57-56-22-12-13-23-60(56)64(61(57)39-48,52-17-6-2-7-18-52)53-19-8-3-9-20-53/h1-2,4-8,10-41H,3,9H2
InChIKeyAHRXVHLCYLBFDM-UHFFFAOYSA-N
XLogP16.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.05
LogP ≤ 516.95
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

4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline
CID 129302258
2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
CID 129302329
4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632236
4-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 142481023
2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 134569830
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 167297491
7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline
CID 129302458
4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline
CID 135132558
4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline
CID 129302449
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
9-cyclohexa-1,5-dien-1-yl-N-[4-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 144907545
9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene
CID 142347056

Frequently Asked Questions

What is the IUPAC name of 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline?
The IUPAC name of 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline (CID 145340862) is 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline.
What is the SMILES notation for 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline?
The canonical SMILES for 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline is C1=CC(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5cc(-c6ccc7c(-c8ccccc8)cc(-c8ccc9c(ccc%10ccccc%109)c8)nc7c6)ccc5c4)cc32)=CCC1.
What is the InChIKey of 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline?
The InChIKey is AHRXVHLCYLBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-4-14-42(15-5-1)59-41-62(51-32-33-55-50(38-51)29-24-43-16-10-11-21-54(43)55)65-63-40-49(31-35-58(59)63)47-28-26-44-36-46(27-25-45(44)37-47)48-30-34-57-56-22-12-13-23-60(56)64(61(57)39-48,52-17-6-2-7-18-52)53-19-8-3-9-20-53/h1-2,4-8,10-41H,3,9H2.
What are the key properties of 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline?
7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline has a molecular weight of 826.05 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline is sourced from PubChem (CID 145340862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).