7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene

C59H38 — CID 158070567

IUPAC7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
SMILESc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6c(c7ccccc57)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C59H38/c1-4-18-39(19-5-1)40-32-33-42-37-43(35-34-41(42)36-40)56-48-26-12-14-28-50(48)57(51-29-15-13-27-49(51)56)53-38-55-58(47-25-11-10-24-46(47)53)52-30-16-17-31-54(52)59(55,44-20-6-2-7-21-44)45-22-8-3-9-23-45/h1-38H
InChIKeyFLTRIISHPJOQNN-UHFFFAOYSA-N
MW746.95 g/mol
LogP15.66
Rot. Bonds5

About 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene

7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene (PubChem CID 158070567) has the molecular formula C59H38 and a molecular weight of 746.95 g/mol. Its IUPAC name is 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
PubChem CID158070567
Molecular FormulaC59H38
Molecular Weight746.95 g/mol
Exact Mass746.30
IUPAC Name7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
SMILESc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6c(c7ccccc57)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C59H38/c1-4-18-39(19-5-1)40-32-33-42-37-43(35-34-41(42)36-40)56-48-26-12-14-28-50(48)57(51-29-15-13-27-49(51)56)53-38-55-58(47-25-11-10-24-46(47)53)52-30-16-17-31-54(52)59(55,44-20-6-2-7-21-44)45-22-8-3-9-23-45/h1-38H
InChIKeyFLTRIISHPJOQNN-UHFFFAOYSA-N
XLogP15.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
22'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962406
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962359
7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 167546795
22-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725913
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
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
5-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 166034504
22-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;22-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-diphenyl-22-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-diphenyl-22-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;22-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 158618572
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]triphenylene;9-(4-phenylnaphthalen-1-yl)-10-(2-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 161188323

Frequently Asked Questions

What is the IUPAC name of 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene?
The IUPAC name of 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene (CID 158070567) is 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene.
What is the SMILES notation for 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene?
The canonical SMILES for 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene is c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cc6c(c7ccccc57)-c5ccccc5C6(c5ccccc5)c5ccccc5)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene?
The InChIKey is FLTRIISHPJOQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38/c1-4-18-39(19-5-1)40-32-33-42-37-43(35-34-41(42)36-40)56-48-26-12-14-28-50(48)57(51-29-15-13-27-49(51)56)53-38-55-58(47-25-11-10-24-46(47)53)52-30-16-17-31-54(52)59(55,44-20-6-2-7-21-44)45-22-8-3-9-23-45/h1-38H.
What are the key properties of 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene?
7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene has a molecular weight of 746.95 g/mol, XLogP of 15.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene is sourced from PubChem (CID 158070567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).