5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline

C63H41N — CID 59183853

IUPAC5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline
SMILESc1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCc6cc7ccccc7cc64)c4ccccc4-5)c4ncccc34)cc1C21CCc2cc3ccccc3cc21
InChIInChI=1S/C63H41N/c1-3-14-40-34-55-42(32-38(40)12-1)27-29-62(55)53-21-9-7-16-46(53)48-25-23-44(36-57(48)62)59-50-18-5-6-19-51(50)60(61-52(59)20-11-31-64-61)45-24-26-49-47-17-8-10-22-54(47)63(58(49)37-45)30-28-43-33-39-13-2-4-15-41(39)35-56(43)63/h1-26,31-37H,27-30H2
InChIKeyKCKSZSJPFCICJX-UHFFFAOYSA-N
MW812.03 g/mol
LogP15.55
Rot. Bonds2

About 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline

5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline (PubChem CID 59183853) has the molecular formula C63H41N and a molecular weight of 812.03 g/mol. Its IUPAC name is 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline.

Molecular Properties

Compound Name5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline
PubChem CID59183853
Molecular FormulaC63H41N
Molecular Weight812.03 g/mol
Exact Mass811.32
IUPAC Name5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline
SMILESc1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCc6cc7ccccc7cc64)c4ccccc4-5)c4ncccc34)cc1C21CCc2cc3ccccc3cc21
InChIInChI=1S/C63H41N/c1-3-14-40-34-55-42(32-38(40)12-1)27-29-62(55)53-21-9-7-16-46(53)48-25-23-44(36-57(48)62)59-50-18-5-6-19-51(50)60(61-52(59)20-11-31-64-61)45-24-26-49-47-17-8-10-22-54(47)63(58(49)37-45)30-28-43-33-39-13-2-4-15-41(39)35-56(43)63/h1-26,31-37H,27-30H2
InChIKeyKCKSZSJPFCICJX-UHFFFAOYSA-N
XLogP15.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.03
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline
CID 59183207
5,10-bis(6-naphthalen-1-ylnaphthalen-2-yl)benzo[g]quinoline
CID 59183508
10-naphthalen-1-yl-5-[6-(10-naphthalen-1-ylbenzo[g]quinolin-5-yl)naphthalen-2-yl]benzo[g]quinoline
CID 59184004
5-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenylbenzo[g]quinoline
CID 59183100
10-naphthalen-2-yl-5-(3-phenylphenyl)benzo[g]quinoline
CID 59183088
10-naphthalen-1-yl-5-[3-(4-phenylphenyl)phenyl]benzo[g]quinoline
CID 59183418
2-(2-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]-9'-ylphenyl)-1,10-phenanthroline
CID 137494871
9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole
CID 59236126
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
2'-(1,10-phenanthrolin-5-yl)spiro[2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 121308429
1-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]isoquinoline
CID 59195043
10-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 59184028

Frequently Asked Questions

What is the IUPAC name of 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline?
The IUPAC name of 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline (CID 59183853) is 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline.
What is the SMILES notation for 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline?
The canonical SMILES for 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline is c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCc6cc7ccccc7cc64)c4ccccc4-5)c4ncccc34)cc1C21CCc2cc3ccccc3cc21.
What is the InChIKey of 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline?
The InChIKey is KCKSZSJPFCICJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N/c1-3-14-40-34-55-42(32-38(40)12-1)27-29-62(55)53-21-9-7-16-46(53)48-25-23-44(36-57(48)62)59-50-18-5-6-19-51(50)60(61-52(59)20-11-31-64-61)45-24-26-49-47-17-8-10-22-54(47)63(58(49)37-45)30-28-43-33-39-13-2-4-15-41(39)35-56(43)63/h1-26,31-37H,27-30H2.
What are the key properties of 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline?
5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline has a molecular weight of 812.03 g/mol, XLogP of 15.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline is sourced from PubChem (CID 59183853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).