6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole

C52H35N3 — CID 134258451

IUPAC6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2C=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)cc21
InChIInChI=1S/C52H35N3/c1-51(2)43-17-7-4-13-36(43)39-31-47-40(30-46(39)51)37-14-5-8-18-44(37)52(47)42-16-6-3-12-32(42)20-21-33-22-23-35(29-45(33)52)34-24-25-48-41(28-34)38-15-11-27-54-50(38)55(48)49-19-9-10-26-53-49/h3-31H,1-2H3
InChIKeyMPSSMPFIMNBYIB-UHFFFAOYSA-N
MW701.87 g/mol
LogP12.39
Rot. Bonds2

About 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole

6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole (PubChem CID 134258451) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole
PubChem CID134258451
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2C=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)cc21
InChIInChI=1S/C52H35N3/c1-51(2)43-17-7-4-13-36(43)39-31-47-40(30-46(39)51)37-14-5-8-18-44(37)52(47)42-16-6-3-12-32(42)20-21-33-22-23-35(29-45(33)52)34-24-25-48-41(28-34)38-15-11-27-54-50(38)55(48)49-19-9-10-26-53-49/h3-31H,1-2H3
InChIKeyMPSSMPFIMNBYIB-UHFFFAOYSA-N
XLogP12.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole 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

9-pyrimidin-2-yl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
CID 134251891
5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole
CID 134258435
9-pyridin-2-yl-6-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyrido[2,3-b]indole
CID 118403871
5-pyridin-2-yl-8-spiro[fluoreno[4,3-b][1]benzothiole-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole
CID 134251886
5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole
CID 134251865
28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527897
2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118403848
2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732
9-phenyl-3-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
CID 134251873
9-pyridin-2-yl-3-[6-[2-[7'-[(E)-2-[6-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]carbazole
CID 163771953
10,10-dimethyl-12-[4-[4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 159559491
9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole
CID 159170419

Frequently Asked Questions

What is the IUPAC name of 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole?
The IUPAC name of 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole (CID 134258451) is 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole.
What is the SMILES notation for 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole?
The canonical SMILES for 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2C=Cc2ccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)cc21.
What is the InChIKey of 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole?
The InChIKey is MPSSMPFIMNBYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-51(2)43-17-7-4-13-36(43)39-31-47-40(30-46(39)51)37-14-5-8-18-44(37)52(47)42-16-6-3-12-32(42)20-21-33-22-23-35(29-45(33)52)34-24-25-48-41(28-34)38-15-11-27-54-50(38)55(48)49-19-9-10-26-53-49/h3-31H,1-2H3.
What are the key properties of 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole?
6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole has a molecular weight of 701.87 g/mol, XLogP of 12.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole is sourced from PubChem (CID 134258451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).