1-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-ylbenzimidazole

C54H32N2 — CID 134528322

IUPAC1-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-ylbenzimidazole
SMILESc1ccc2c(c1)-c1ccc(-c3nc4ccccc4n3-c3ccc4ccccc4c3)cc1C21c2ccccc2-c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C54H32N2/c1-2-14-34-29-36(27-25-33(34)13-1)56-52-24-12-11-23-51(52)55-53(56)35-26-28-43-41-19-7-9-21-47(41)54(49(43)30-35)48-22-10-8-20-42(48)46-31-44-39-17-5-3-15-37(39)38-16-4-6-18-40(38)45(44)32-50(46)54/h1-32H
InChIKeyCINNBFADEAQONK-UHFFFAOYSA-N
MW708.86 g/mol
LogP13.65
Rot. Bonds2

About 1-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-ylbenzimidazole

1-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-ylbenzimidazole (PubChem CID 134528322) has the molecular formula C54H32N2 and a molecular weight of 708.86 g/mol. Its IUPAC name is 1-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-ylbenzimidazole.

Molecular Properties

Compound Name1-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-ylbenzimidazole
PubChem CID134528322
Molecular FormulaC54H32N2
Molecular Weight708.86 g/mol
Exact Mass708.26
IUPAC Name1-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-ylbenzimidazole
SMILESc1ccc2c(c1)-c1ccc(-c3nc4ccccc4n3-c3ccc4ccccc4c3)cc1C21c2ccccc2-c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C54H32N2/c1-2-14-34-29-36(27-25-33(34)13-1)56-52-24-12-11-23-51(52)55-53(56)35-26-28-43-41-19-7-9-21-47(41)54(49(43)30-35)48-22-10-8-20-42(48)46-31-44-39-17-5-3-15-37(39)38-16-4-6-18-40(38)45(44)32-50(46)54/h1-32H
InChIKeyCINNBFADEAQONK-UHFFFAOYSA-N
XLogP13.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-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-ylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(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-ylbenzimidazole
CID 134528323
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
CID 23590277
CID 23590277
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]spiro[15-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 130394114
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
2-(23,23-dimethyl-20-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(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824
2-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 169072068
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)-1-phenylbenzimidazole
CID 58412005
1-phenyl-2-(4-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylphenyl)benzimidazole
CID 134258304
9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
CID 58500843
1-phenyl-2-(3-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)benzimidazole
CID 137494336

Frequently Asked Questions

What is the IUPAC name of 1-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-ylbenzimidazole?
The IUPAC name of 1-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-ylbenzimidazole (CID 134528322) is 1-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-ylbenzimidazole.
What is the SMILES notation for 1-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-ylbenzimidazole?
The canonical SMILES for 1-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-ylbenzimidazole is c1ccc2c(c1)-c1ccc(-c3nc4ccccc4n3-c3ccc4ccccc4c3)cc1C21c2ccccc2-c2cc3c4ccccc4c4ccccc4c3cc21.
What is the InChIKey of 1-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-ylbenzimidazole?
The InChIKey is CINNBFADEAQONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2/c1-2-14-34-29-36(27-25-33(34)13-1)56-52-24-12-11-23-51(52)55-53(56)35-26-28-43-41-19-7-9-21-47(41)54(49(43)30-35)48-22-10-8-20-42(48)46-31-44-39-17-5-3-15-37(39)38-16-4-6-18-40(38)45(44)32-50(46)54/h1-32H.
What are the key properties of 1-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-ylbenzimidazole?
1-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-ylbenzimidazole has a molecular weight of 708.86 g/mol, XLogP of 13.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-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-ylbenzimidazole is sourced from PubChem (CID 134528322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).