15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]

C46H30N2 — CID 129262709

IUPAC15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2N2c3c(cccc31)NC2c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C46H30N2/c1-2-11-30-26-31(21-20-29(30)10-1)32-22-23-34-28-35(25-24-33(34)27-32)45-47-42-18-9-17-41-44(42)48(45)43-19-8-7-16-40(43)46(41)38-14-5-3-12-36(38)37-13-4-6-15-39(37)46/h1-28,45,47H
InChIKeyMWTQPJUCZJBSMD-UHFFFAOYSA-N
MW610.76 g/mol
LogP11.60
Rot. Bonds2

About 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]

15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] (PubChem CID 129262709) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Name15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
PubChem CID129262709
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2N2c3c(cccc31)NC2c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C46H30N2/c1-2-11-30-26-31(21-20-29(30)10-1)32-22-23-34-28-35(25-24-33(34)27-32)45-47-42-18-9-17-41-44(42)48(45)43-19-8-7-16-40(43)46(41)38-14-5-3-12-36(38)37-13-4-6-15-39(37)46/h1-28,45,47H
InChIKeyMWTQPJUCZJBSMD-UHFFFAOYSA-N
XLogP11.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 511.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] with MolForge

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Related Compounds

2'-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
CID 129262654
15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
CID 129262694
4'-dibenzothiophen-4-yl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
CID 129262706
3-naphthalen-2-yl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl-1,2-dihydrobenzimidazole;3-naphthalen-2-yl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,2-dihydrobenzimidazole;3-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl-1,2-dihydrobenzimidazole;3-(4-phenylphenyl)-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,2-dihydrobenzimidazole
CID 158319996
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 146413990
2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 143828963
4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline
CID 145202401
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one
CID 176687398

Frequently Asked Questions

What is the IUPAC name of 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The IUPAC name of 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] (CID 129262709) is 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene].
What is the SMILES notation for 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The canonical SMILES for 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2N2c3c(cccc31)NC2c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The InChIKey is MWTQPJUCZJBSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-2-11-30-26-31(21-20-29(30)10-1)32-22-23-34-28-35(25-24-33(34)27-32)45-47-42-18-9-17-41-44(42)48(45)43-19-8-7-16-40(43)46(41)38-14-5-3-12-36(38)37-13-4-6-15-39(37)46/h1-28,45,47H.
What are the key properties of 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] has a molecular weight of 610.76 g/mol, XLogP of 11.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 129262709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).