3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]

C39H24N4 — CID 129308481

IUPAC3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]
SMILESc1ccc(-n2ncc3c4c(ccc32)-c2ccccc2C42c3ccccc3-c3ccc4c(cnn4-c4ccccc4)c32)cc1
InChIInChI=1S/C39H24N4/c1-3-11-25(12-4-1)42-35-21-19-29-27-15-7-9-17-33(27)39(37(29)31(35)23-40-42)34-18-10-8-16-28(34)30-20-22-36-32(38(30)39)24-41-43(36)26-13-5-2-6-14-26/h1-24H
InChIKeyCOLGXKGVLNGAPX-UHFFFAOYSA-N
MW548.65 g/mol
LogP8.71
Rot. Bonds2

About 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]

3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole] (PubChem CID 129308481) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole].

Molecular Properties

Compound Name3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]
PubChem CID129308481
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]
SMILESc1ccc(-n2ncc3c4c(ccc32)-c2ccccc2C42c3ccccc3-c3ccc4c(cnn4-c4ccccc4)c32)cc1
InChIInChI=1S/C39H24N4/c1-3-11-25(12-4-1)42-35-21-19-29-27-15-7-9-17-33(27)39(37(29)31(35)23-40-42)34-18-10-8-16-28(34)30-20-22-36-32(38(30)39)24-41-43(36)26-13-5-2-6-14-26/h1-24H
InChIKeyCOLGXKGVLNGAPX-UHFFFAOYSA-N
XLogP8.71
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole] 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

8',11'-bis(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331815
3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
CID 166034115
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole
CID 129308619
4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123195279
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331859
4-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325889

Frequently Asked Questions

What is the IUPAC name of 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]?
The IUPAC name of 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole] (CID 129308481) is 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole].
What is the SMILES notation for 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]?
The canonical SMILES for 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole] is c1ccc(-n2ncc3c4c(ccc32)-c2ccccc2C42c3ccccc3-c3ccc4c(cnn4-c4ccccc4)c32)cc1.
What is the InChIKey of 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]?
The InChIKey is COLGXKGVLNGAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-3-11-25(12-4-1)42-35-21-19-29-27-15-7-9-17-33(27)39(37(29)31(35)23-40-42)34-18-10-8-16-28(34)30-20-22-36-32(38(30)39)24-41-43(36)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]?
3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole] has a molecular weight of 548.65 g/mol, XLogP of 8.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole] is sourced from PubChem (CID 129308481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).