7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]

C64H39N3 — CID 134335969

IUPAC7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc64)c4ccnnc4-5)c4ccccc34)ccc2c1
InChIInChI=1S/C64H39N3/c1-38-23-24-42-32-43(26-25-41(42)31-38)61-47-18-7-9-20-49(47)62(50-21-10-8-19-48(50)61)44-27-28-51-57(34-44)64(56-29-30-65-66-63(51)56)55-22-12-11-17-46(55)52-36-54-53-33-39-13-5-6-14-40(39)35-59(53)67(60(54)37-58(52)64)45-15-3-2-4-16-45/h2-37H,1H3
InChIKeySOBPVUOIZAKIDI-UHFFFAOYSA-N
MW850.04 g/mol
LogP16.17
Rot. Bonds3

About 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]

7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine] (PubChem CID 134335969) has the molecular formula C64H39N3 and a molecular weight of 850.04 g/mol. Its IUPAC name is 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine].

Molecular Properties

Compound Name7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]
PubChem CID134335969
Molecular FormulaC64H39N3
Molecular Weight850.04 g/mol
Exact Mass849.31
IUPAC Name7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]
SMILESCc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc64)c4ccnnc4-5)c4ccccc34)ccc2c1
InChIInChI=1S/C64H39N3/c1-38-23-24-42-32-43(26-25-41(42)31-38)61-47-18-7-9-20-49(47)62(50-21-10-8-19-48(50)61)44-27-28-51-57(34-44)64(56-29-30-65-66-63(51)56)55-22-12-11-17-46(55)52-36-54-53-33-39-13-5-6-14-40(39)35-59(53)67(60(54)37-58(52)64)45-15-3-2-4-16-45/h2-37H,1H3
InChIKeySOBPVUOIZAKIDI-UHFFFAOYSA-N
XLogP16.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.04
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine] with MolForge

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Related Compounds

7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]
CID 134335959
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
CID 23590277
CID 23590277
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732
14',21'-dinaphthalen-2-ylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175305
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492473
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
CID 163750007
CID 163750007
9-(4-methylphenyl)-3-[6-[(E)-2-[7'-[(E)-2-[6-[9-(4-methylphenyl)carbazol-3-yl]naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
CID 59236105

Frequently Asked Questions

What is the IUPAC name of 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]?
The IUPAC name of 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine] (CID 134335969) is 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine].
What is the SMILES notation for 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]?
The canonical SMILES for 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine] is Cc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc64)c4ccnnc4-5)c4ccccc34)ccc2c1.
What is the InChIKey of 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]?
The InChIKey is SOBPVUOIZAKIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N3/c1-38-23-24-42-32-43(26-25-41(42)31-38)61-47-18-7-9-20-49(47)62(50-21-10-8-19-48(50)61)44-27-28-51-57(34-44)64(56-29-30-65-66-63(51)56)55-22-12-11-17-46(55)52-36-54-53-33-39-13-5-6-14-40(39)35-59(53)67(60(54)37-58(52)64)45-15-3-2-4-16-45/h2-37H,1H3.
What are the key properties of 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]?
7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine] has a molecular weight of 850.04 g/mol, XLogP of 16.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine] is sourced from PubChem (CID 134335969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).