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]

C50H30N4 — CID 142607171

IUPAC4-(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]
SMILESc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c5nc5ccccc56)c4ccc32)cc1
InChIInChI=1S/C50H30N4/c1-2-15-31(16-3-1)52-39-24-10-5-18-33(39)47-44(52)29-30-45-48(47)34-19-6-11-25-40(34)53(45)43-28-14-22-37-46(43)32-17-4-7-20-35(32)50(37)36-21-8-12-26-41(36)54-42-27-13-9-23-38(42)51-49(50)54/h1-30H
InChIKeyLQGSGMLCLNBLNA-UHFFFAOYSA-N
MW686.82 g/mol
LogP11.90
Rot. Bonds2

About 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]

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] (PubChem CID 142607171) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name4-(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]
PubChem CID142607171
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name4-(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]
SMILESc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c5nc5ccccc56)c4ccc32)cc1
InChIInChI=1S/C50H30N4/c1-2-15-31(16-3-1)52-39-24-10-5-18-33(39)47-44(52)29-30-45-48(47)34-19-6-11-25-40(34)53(45)43-28-14-22-37-46(43)32-17-4-7-20-35(32)50(37)36-21-8-12-26-41(36)54-42-27-13-9-23-38(42)51-49(50)54/h1-30H
InChIKeyLQGSGMLCLNBLNA-UHFFFAOYSA-N
XLogP11.90
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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] with MolForge

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Related Compounds

2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606984
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
8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607174
4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 162484018
17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464687
ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607121
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
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 162484186
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465554
15-phenyl-4'-(9-phenylcarbazol-3-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262721
CID 134551695
CID 134551695

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c5nc5ccccc56)c4ccc32)cc1.
What is the InChIKey of 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]?
The InChIKey is LQGSGMLCLNBLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-15-31(16-3-1)52-39-24-10-5-18-33(39)47-44(52)29-30-45-48(47)34-19-6-11-25-40(34)53(45)43-28-14-22-37-46(43)32-17-4-7-20-35(32)50(37)36-21-8-12-26-41(36)54-42-27-13-9-23-38(42)51-49(50)54/h1-30H.
What are the key properties of 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]?
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] has a molecular weight of 686.82 g/mol, XLogP of 11.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 142607171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).