ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C41H29N3 — CID 142607121

IUPACethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESC=C.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1nc3ccccc3n1-2
InChIInChI=1S/C39H25N3.C2H4/c1-24-18-20-35-29(22-24)28-12-4-8-16-34(28)41(35)25-19-21-36-32(23-25)39(38-40-33-15-7-9-17-37(33)42(36)38)30-13-5-2-10-26(30)27-11-3-6-14-31(27)39;1-2/h2-23H,1H3;1-2H2
InChIKeyGBJXZZIVBCUIOQ-UHFFFAOYSA-N
MW563.70 g/mol
LogP9.91
Rot. Bonds1

About ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 142607121) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

Compound Nameethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
PubChem CID142607121
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Nameethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESC=C.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1nc3ccccc3n1-2
InChIInChI=1S/C39H25N3.C2H4/c1-24-18-20-35-29(22-24)28-12-4-8-16-34(28)41(35)25-19-21-36-32(23-25)39(38-40-33-15-7-9-17-37(33)42(36)38)30-13-5-2-10-26(30)27-11-3-6-14-31(27)39;1-2/h2-23H,1H3;1-2H2
InChIKeyGBJXZZIVBCUIOQ-UHFFFAOYSA-N
XLogP9.91
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 162484092
2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606955
2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606984
2'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607289
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
16-methylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 135245562
8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607174
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]
CID 145345825
4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607171
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174282892

Frequently Asked Questions

What is the IUPAC name of ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The IUPAC name of ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 142607121) is ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].
What is the SMILES notation for ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The canonical SMILES for ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is C=C.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1nc3ccccc3n1-2.
What is the InChIKey of ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The InChIKey is GBJXZZIVBCUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3.C2H4/c1-24-18-20-35-29(22-24)28-12-4-8-16-34(28)41(35)25-19-21-36-32(23-25)39(38-40-33-15-7-9-17-37(33)42(36)38)30-13-5-2-10-26(30)27-11-3-6-14-31(27)39;1-2/h2-23H,1H3;1-2H2.
What are the key properties of ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] has a molecular weight of 563.70 g/mol, XLogP of 9.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 142607121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).