ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole

C86H67N9 — CID 144790845

IUPACethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole
SMILESCC.CCC.c1ccc(-n2c3ccc(-n4c5ccccc5c5ncccc54)cc3c3cc(-n4c5ccccc5c5ncccc54)ccc32)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)cc1
InChIInChI=1S/C41H28N4.C40H25N5.C3H8.C2H6/c1-3-9-36-34(7-1)40-38(11-5-25-42-40)44(36)32-21-15-29(16-22-32)27-28-13-17-30(18-14-28)31-19-23-33(24-20-31)45-37-10-4-2-8-35(37)41-39(45)12-6-26-43-41;1-2-10-26(11-3-1)43-35-20-18-27(44-33-14-6-4-12-29(33)39-37(44)16-8-22-41-39)24-31(35)32-25-28(19-21-36(32)43)45-34-15-7-5-13-30(34)40-38(45)17-9-23-42-40;1-3-2;1-2/h1-26H,27H2;1-25H;3H2,1-2H3;1-2H3
InChIKeyIQGUBMMZEMFJOV-UHFFFAOYSA-N
MW1226.54 g/mol
LogP22.14
Rot. Bonds8

About ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole

ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole (PubChem CID 144790845) has the molecular formula C86H67N9 and a molecular weight of 1226.54 g/mol. Its IUPAC name is ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Nameethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole
PubChem CID144790845
Molecular FormulaC86H67N9
Molecular Weight1226.54 g/mol
Exact Mass1225.55
IUPAC Nameethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole
SMILESCC.CCC.c1ccc(-n2c3ccc(-n4c5ccccc5c5ncccc54)cc3c3cc(-n4c5ccccc5c5ncccc54)ccc32)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)cc1
InChIInChI=1S/C41H28N4.C40H25N5.C3H8.C2H6/c1-3-9-36-34(7-1)40-38(11-5-25-42-40)44(36)32-21-15-29(16-22-32)27-28-13-17-30(18-14-28)31-19-23-33(24-20-31)45-37-10-4-2-8-35(37)41-39(45)12-6-26-43-41;1-2-10-26(11-3-1)43-35-20-18-27(44-33-14-6-4-12-29(33)39-37(44)16-8-22-41-39)24-31(35)32-25-28(19-21-36(32)43)45-34-15-7-5-13-30(34)40-38(45)17-9-23-42-40;1-3-2;1-2/h1-26H,27H2;1-25H;3H2,1-2H3;1-2H3
InChIKeyIQGUBMMZEMFJOV-UHFFFAOYSA-N
XLogP22.14
TPSA76.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001226.54
LogP ≤ 522.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
9-[[1-[[4-[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155544405
9-[[1-[[4-[[4-(Carbazol-9-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methyl]carbazole
CID 155551077
1-Pyridin-3-yl-9-[4-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)butyl]pyrido[3,4-b]indole
CID 71539896
9-Butyl-3-[[4-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029326
9-(3-Phenylpropyl)-3-[[4-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029591
Delta-[ru(Bpy)2dppz]2+
CID 57336495
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]indol-3-yl]-phenylmethyl]indole
CID 44511354
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]-2-methylindol-3-yl]-phenylmethyl]-2-methylindole
CID 44583480
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886

Frequently Asked Questions

What is the IUPAC name of ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole?
The IUPAC name of ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole (CID 144790845) is ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole?
The canonical SMILES for ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole is CC.CCC.c1ccc(-n2c3ccc(-n4c5ccccc5c5ncccc54)cc3c3cc(-n4c5ccccc5c5ncccc54)ccc32)cc1.c1ccc2c(c1)c1ncccc1n2-c1ccc(Cc2ccc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)cc2)cc1.
What is the InChIKey of ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole?
The InChIKey is IQGUBMMZEMFJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4.C40H25N5.C3H8.C2H6/c1-3-9-36-34(7-1)40-38(11-5-25-42-40)44(36)32-21-15-29(16-22-32)27-28-13-17-30(18-14-28)31-19-23-33(24-20-31)45-37-10-4-2-8-35(37)41-39(45)12-6-26-43-41;1-2-10-26(11-3-1)43-35-20-18-27(44-33-14-6-4-12-29(33)39-37(44)16-8-22-41-39)24-31(35)32-25-28(19-21-36(32)43)45-34-15-7-5-13-30(34)40-38(45)17-9-23-42-40;1-3-2;1-2/h1-26H,27H2;1-25H;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole?
ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole has a molecular weight of 1226.54 g/mol, XLogP of 22.14, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)pyrido[3,2-b]indole;propane;5-[4-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 144790845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).