2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C50H30N4 — CID 162484092

IUPAC2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4nc6ccccc6n4-5)c23)cc1
InChIInChI=1S/C50H30N4/c1-2-14-31(15-3-1)52-43-24-12-7-19-37(43)47-46(52)29-27-36-35-18-6-11-23-42(35)53(48(36)47)32-26-28-44-40(30-32)50(49-51-41-22-10-13-25-45(41)54(44)49)38-20-8-4-16-33(38)34-17-5-9-21-39(34)50/h1-30H
InChIKeyUYETWRXVHZRBKL-UHFFFAOYSA-N
MW686.82 g/mol
LogP11.90
Rot. Bonds2

About 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 162484092) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

Compound Name2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
PubChem CID162484092
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4nc6ccccc6n4-5)c23)cc1
InChIInChI=1S/C50H30N4/c1-2-14-31(15-3-1)52-43-24-12-7-19-37(43)47-46(52)29-27-36-35-18-6-11-23-42(35)53(48(36)47)32-26-28-44-40(30-32)50(49-51-41-22-10-13-25-45(41)54(44)49)38-20-8-4-16-33(38)34-17-5-9-21-39(34)50/h1-30H
InChIKeyUYETWRXVHZRBKL-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

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Related Compounds

ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607121
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
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
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
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965403
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 88887018
12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole
CID 118501967
12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole
CID 154596201
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108

Frequently Asked Questions

What is the IUPAC name of 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The IUPAC name of 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 162484092) is 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].
What is the SMILES notation for 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The canonical SMILES for 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4nc6ccccc6n4-5)c23)cc1.
What is the InChIKey of 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The InChIKey is UYETWRXVHZRBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-14-31(15-3-1)52-43-24-12-7-19-37(43)47-46(52)29-27-36-35-18-6-11-23-42(35)53(48(36)47)32-26-28-44-40(30-32)50(49-51-41-22-10-13-25-45(41)54(44)49)38-20-8-4-16-33(38)34-17-5-9-21-39(34)50/h1-30H.
What are the key properties of 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
2'-(5-phenylindolo[3,2-c]carbazol-12-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 2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 162484092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).