2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

C50H30N4 — CID 142606955

IUPAC2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c5nc5ccccc56)c4cc32)cc1
InChIInChI=1S/C50H30N4/c1-2-14-31(15-3-1)52-43-22-10-5-17-35(43)37-29-38-36-18-6-11-23-44(36)53(48(38)30-47(37)52)32-26-27-34-33-16-4-7-19-39(33)50(41(34)28-32)40-20-8-12-24-45(40)54-46-25-13-9-21-42(46)51-49(50)54/h1-30H
InChIKeyNXWQCNGROZSFSN-UHFFFAOYSA-N
MW686.82 g/mol
LogP11.90
Rot. Bonds2

About 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]

2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (PubChem CID 142606955) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].

Molecular Properties

Compound Name2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
PubChem CID142606955
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c5nc5ccccc56)c4cc32)cc1
InChIInChI=1S/C50H30N4/c1-2-14-31(15-3-1)52-43-22-10-5-17-35(43)37-29-38-36-18-6-11-23-44(36)53(48(38)30-47(37)52)32-26-27-34-33-16-4-7-19-39(33)50(41(34)28-32)40-20-8-12-24-45(40)54-46-25-13-9-21-42(46)51-49(50)54/h1-30H
InChIKeyNXWQCNGROZSFSN-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 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] 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

2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606984
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
ethene;2'-(3-methylcarbazol-9-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607121
2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 162484092
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-(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
8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607174
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 162484186
3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole
CID 118316120
2'-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 170942089
CID 134551753
CID 134551753

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The IUPAC name of 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] (CID 142606955) is 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole].
What is the SMILES notation for 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The canonical SMILES for 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c5nc5ccccc56)c4cc32)cc1.
What is the InChIKey of 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
The InChIKey is NXWQCNGROZSFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-14-31(15-3-1)52-43-22-10-5-17-35(43)37-29-38-36-18-6-11-23-44(36)53(48(38)30-47(37)52)32-26-27-34-33-16-4-7-19-39(33)50(41(34)28-32)40-20-8-12-24-45(40)54-46-25-13-9-21-42(46)51-49(50)54/h1-30H.
What are the key properties of 2-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]?
2-(7-phenylindolo[2,3-b]carbazol-5-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-(7-phenylindolo[2,3-b]carbazol-5-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole] is sourced from PubChem (CID 142606955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).