8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline

C67H43N3 — CID 158643627

IUPAC8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline
SMILESCc1c2c(c(C)c(-c3ccc4ccccc4c3)c1-c1ccc3ccccc3c1)C(c1cccc3ccccc13)=C1C2=C(c2ccccn2)C(c2cccc3cccnc23)=C1c1cccc2cccnc12
InChIInChI=1S/C67H43N3/c1-40-56(49-33-31-42-16-3-5-19-47(42)38-49)57(50-34-32-43-17-4-6-20-48(43)39-50)41(2)59-58(40)60(52-27-11-21-44-18-7-8-26-51(44)52)65-62(54-29-13-23-46-25-15-37-70-67(46)54)61(63(64(59)65)55-30-9-10-35-68-55)53-28-12-22-45-24-14-36-69-66(45)53/h3-39H,1-2H3
InChIKeyALMMUZUMRJBDQA-UHFFFAOYSA-N
MW890.10 g/mol
LogP16.94
Rot. Bonds6

About 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline

8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline (PubChem CID 158643627) has the molecular formula C67H43N3 and a molecular weight of 890.10 g/mol. Its IUPAC name is 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline.

Molecular Properties

Compound Name8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline
PubChem CID158643627
Molecular FormulaC67H43N3
Molecular Weight890.10 g/mol
Exact Mass889.35
IUPAC Name8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline
SMILESCc1c2c(c(C)c(-c3ccc4ccccc4c3)c1-c1ccc3ccccc3c1)C(c1cccc3ccccc13)=C1C2=C(c2ccccn2)C(c2cccc3cccnc23)=C1c1cccc2cccnc12
InChIInChI=1S/C67H43N3/c1-40-56(49-33-31-42-16-3-5-19-47(42)38-49)57(50-34-32-43-17-4-6-20-48(43)39-50)41(2)59-58(40)60(52-27-11-21-44-18-7-8-26-51(44)52)65-62(54-29-13-23-46-25-15-37-70-67(46)54)61(63(64(59)65)55-30-9-10-35-68-55)53-28-12-22-45-24-14-36-69-66(45)53/h3-39H,1-2H3
InChIKeyALMMUZUMRJBDQA-UHFFFAOYSA-N
XLogP16.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.10
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline with MolForge

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Launch Full Analysis

Related Compounds

8-(4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline;2-[2,3,7-tris(3-phenylphenyl)-6-(4-phenylphenyl)-1-pyridin-2-ylcyclopenta[a]inden-4-yl]pyridine
CID 158486325
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
10-naphthalen-1-yl-5-[6-(10-naphthalen-1-ylbenzo[g]quinolin-5-yl)naphthalen-2-yl]benzo[g]quinoline
CID 59184004
5,10-bis(6-naphthalen-1-ylnaphthalen-2-yl)benzo[g]quinoline
CID 59183508
12-naphthalen-1-yl-24-naphthalen-2-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123368799
8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
CID 58322624
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
5-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenylbenzo[g]quinoline
CID 59183100
8-pyridin-2-ylquinoline
CID 10982041
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934

Frequently Asked Questions

What is the IUPAC name of 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline?
The IUPAC name of 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline (CID 158643627) is 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline.
What is the SMILES notation for 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline?
The canonical SMILES for 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline is Cc1c2c(c(C)c(-c3ccc4ccccc4c3)c1-c1ccc3ccccc3c1)C(c1cccc3ccccc13)=C1C2=C(c2ccccn2)C(c2cccc3cccnc23)=C1c1cccc2cccnc12.
What is the InChIKey of 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline?
The InChIKey is ALMMUZUMRJBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3/c1-40-56(49-33-31-42-16-3-5-19-47(42)38-49)57(50-34-32-43-17-4-6-20-48(43)39-50)41(2)59-58(40)60(52-27-11-21-44-18-7-8-26-51(44)52)65-62(54-29-13-23-46-25-15-37-70-67(46)54)61(63(64(59)65)55-30-9-10-35-68-55)53-28-12-22-45-24-14-36-69-66(45)53/h3-39H,1-2H3.
What are the key properties of 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline?
8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline has a molecular weight of 890.10 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,8-dimethyl-4-naphthalen-1-yl-6,7-dinaphthalen-2-yl-1-pyridin-2-yl-2-quinolin-8-ylcyclopenta[a]inden-3-yl)quinoline is sourced from PubChem (CID 158643627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).