1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole

C47H30N2 — CID 137493499

IUPAC1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole
SMILESCn1c(-c2ccccc2)nc2cc(-c3ccc4c5c(ccc4c3)-c3c(ccc4ccccc34)C53c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C47H30N2/c1-49-43-26-22-32(28-42(43)48-46(49)30-12-3-2-4-13-30)31-19-23-35-33(27-31)20-24-38-44-34-14-6-5-11-29(34)21-25-41(44)47(45(35)38)39-17-9-7-15-36(39)37-16-8-10-18-40(37)47/h2-28H,1H3
InChIKeyFZMZNMCNZMBBGO-UHFFFAOYSA-N
MW622.77 g/mol
LogP11.56
Rot. Bonds2

About 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole

1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole (PubChem CID 137493499) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole.

Molecular Properties

Compound Name1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole
PubChem CID137493499
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole
SMILESCn1c(-c2ccccc2)nc2cc(-c3ccc4c5c(ccc4c3)-c3c(ccc4ccccc34)C53c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C47H30N2/c1-49-43-26-22-32(28-42(43)48-46(49)30-12-3-2-4-13-30)31-19-23-35-33(27-31)20-24-38-44-34-14-6-5-11-29(34)21-25-41(44)47(45(35)38)39-17-9-7-15-36(39)37-16-8-10-18-40(37)47/h2-28H,1H3
InChIKeyFZMZNMCNZMBBGO-UHFFFAOYSA-N
XLogP11.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole with MolForge

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Related Compounds

1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylbenzimidazole
CID 137494359
1-methyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylphenyl)benzimidazole
CID 137492695
9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole
CID 137493933
17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 140962833
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine
CID 137494809
2,4-diphenyl-6-[4-[6'-[3-(6-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14(19),15,17,20-decaene]-17'-yl]phenyl]pyrimidine
CID 137493411
1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole
CID 155334148
1-methyl-2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)benzimidazole
CID 137493437
2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine
CID 137493491
CID 23590299
CID 23590299
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 137493557
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole?
The IUPAC name of 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole (CID 137493499) is 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole.
What is the SMILES notation for 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole?
The canonical SMILES for 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole is Cn1c(-c2ccccc2)nc2cc(-c3ccc4c5c(ccc4c3)-c3c(ccc4ccccc34)C53c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole?
The InChIKey is FZMZNMCNZMBBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c1-49-43-26-22-32(28-42(43)48-46(49)30-12-3-2-4-13-30)31-19-23-35-33(27-31)20-24-38-44-34-14-6-5-11-29(34)21-25-41(44)47(45(35)38)39-17-9-7-15-36(39)37-16-8-10-18-40(37)47/h2-28H,1H3.
What are the key properties of 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole?
1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole has a molecular weight of 622.77 g/mol, XLogP of 11.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole is sourced from PubChem (CID 137493499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).