prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole

C44H36N4 — CID 143599046

IUPACprop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole
SMILESC=CC.C=CCc1ccc2c(c1)c1ncccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccc(CC=C)cc4c4ncccc43)ccc1C2
InChIInChI=1S/C41H30N4.C3H6/c1-3-7-26-11-17-36-34(21-26)40-38(9-5-19-42-40)44(36)30-15-13-28-23-29-14-16-31(25-33(29)32(28)24-30)45-37-18-12-27(8-4-2)22-35(37)41-39(45)10-6-20-43-41;1-3-2/h3-6,9-22,24-25H,1-2,7-8,23H2;3H,1H2,2H3
InChIKeyDGXVERYXUMRHGI-UHFFFAOYSA-N
MW620.80 g/mol
LogP10.89
Rot. Bonds6

About prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole

prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole (PubChem CID 143599046) has the molecular formula C44H36N4 and a molecular weight of 620.80 g/mol. Its IUPAC name is prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Nameprop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole
PubChem CID143599046
Molecular FormulaC44H36N4
Molecular Weight620.80 g/mol
Exact Mass620.29
IUPAC Nameprop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole
SMILESC=CC.C=CCc1ccc2c(c1)c1ncccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccc(CC=C)cc4c4ncccc43)ccc1C2
InChIInChI=1S/C41H30N4.C3H6/c1-3-7-26-11-17-36-34(21-26)40-38(9-5-19-42-40)44(36)30-15-13-28-23-29-14-16-31(25-33(29)32(28)24-30)45-37-18-12-27(8-4-2)22-35(37)41-39(45)10-6-20-43-41;1-3-2/h3-6,9-22,24-25H,1-2,7-8,23H2;3H,1H2,2H3
InChIKeyDGXVERYXUMRHGI-UHFFFAOYSA-N
XLogP10.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole with MolForge

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Related Compounds

8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 163641051
8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)-9H-fluoren-1-yl]pyrido[3,2-b]indole
CID 144612460
8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 129259902
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
9-phenyl-3-prop-2-enylcarbazole
CID 123281501
5-[3,5-bis(ethenyl)phenyl]-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
CID 134274167
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3-[7-[3,6-bis(prop-2-enyl)carbazol-9-yl]-9H-xanthen-2-yl]-9-phenyl-6-prop-2-enylcarbazole
CID 144605165
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
5-[3-methyl-4-[2-methyl-4-(8-propylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-8-propylpyrido[4,3-b]indole;propane
CID 145317705
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
9-[4-[6-(4-ethylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 159891621

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole?
The IUPAC name of prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole (CID 143599046) is prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole.
What is the SMILES notation for prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole?
The canonical SMILES for prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole is C=CC.C=CCc1ccc2c(c1)c1ncccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccc(CC=C)cc4c4ncccc43)ccc1C2.
What is the InChIKey of prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole?
The InChIKey is DGXVERYXUMRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4.C3H6/c1-3-7-26-11-17-36-34(21-26)40-38(9-5-19-42-40)44(36)30-15-13-28-23-29-14-16-31(25-33(29)32(28)24-30)45-37-18-12-27(8-4-2)22-35(37)41-39(45)10-6-20-43-41;1-3-2/h3-6,9-22,24-25H,1-2,7-8,23H2;3H,1H2,2H3.
What are the key properties of prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole?
prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole has a molecular weight of 620.80 g/mol, XLogP of 10.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 143599046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).