5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole

C74H58N8 — CID 163995751

IUPAC5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole
SMILESCC1CC(CC(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)=CC=C1n1c2c(c3cnccc31)CCC=C2
InChIInChI=1S/C74H58N8/c1-49-40-53(24-31-65(49)82-69-17-9-5-13-60(69)64-48-78-39-35-73(64)82)44-74(41-50-18-25-54(26-19-50)79-66-14-6-2-10-57(66)61-45-75-36-32-70(61)79,42-51-20-27-55(28-21-51)80-67-15-7-3-11-58(67)62-46-76-37-33-71(62)80)43-52-22-29-56(30-23-52)81-68-16-8-4-12-59(68)63-47-77-38-34-72(63)81/h2-4,6-12,14-39,45-49H,5,13,40-44H2,1H3
InChIKeyUEOAPGOTCYCDLC-UHFFFAOYSA-N
MW1059.33 g/mol
LogP17.38
Rot. Bonds12

About 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole

5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole (PubChem CID 163995751) has the molecular formula C74H58N8 and a molecular weight of 1059.33 g/mol. Its IUPAC name is 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole
PubChem CID163995751
Molecular FormulaC74H58N8
Molecular Weight1059.33 g/mol
Exact Mass1058.48
IUPAC Name5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole
SMILESCC1CC(CC(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)=CC=C1n1c2c(c3cnccc31)CCC=C2
InChIInChI=1S/C74H58N8/c1-49-40-53(24-31-65(49)82-69-17-9-5-13-60(69)64-48-78-39-35-73(64)82)44-74(41-50-18-25-54(26-19-50)79-66-14-6-2-10-57(66)61-45-75-36-32-70(61)79,42-51-20-27-55(28-21-51)80-67-15-7-3-11-58(67)62-46-76-37-33-71(62)80)43-52-22-29-56(30-23-52)81-68-16-8-4-12-59(68)63-47-77-38-34-72(63)81/h2-4,6-12,14-39,45-49H,5,13,40-44H2,1H3
InChIKeyUEOAPGOTCYCDLC-UHFFFAOYSA-N
XLogP17.38
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.33
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole with MolForge

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Related Compounds

5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806
8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
8-[4-[4-[[4-(1,2-dihydrocarbazol-9-yl)phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143295809
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole
CID 155085327
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
5-[4-[3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole;5-[4-[[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]methyl]phenyl]pyrido[3,4-b]indole;5-[4-[[6-[5-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,2-b]indole;9-[4-[[6-[5-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]-2-pyridinyl]-3-pyridinyl]methyl]phenyl]pyrido[3,4-b]indole;8-[4-[3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-2,2-bis[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]propyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158927878
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
CID 147490956

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole (CID 163995751) is 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole is CC1CC(CC(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)(Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)Cc2ccc(-n3c4ccccc4c4cnccc43)cc2)=CC=C1n1c2c(c3cnccc31)CCC=C2.
What is the InChIKey of 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole?
The InChIKey is UEOAPGOTCYCDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H58N8/c1-49-40-53(24-31-65(49)82-69-17-9-5-13-60(69)64-48-78-39-35-73(64)82)44-74(41-50-18-25-54(26-19-50)79-66-14-6-2-10-57(66)61-45-75-36-32-70(61)79,42-51-20-27-55(28-21-51)80-67-15-7-3-11-58(67)62-46-76-37-33-71(62)80)43-52-22-29-56(30-23-52)81-68-16-8-4-12-59(68)63-47-77-38-34-72(63)81/h2-4,6-12,14-39,45-49H,5,13,40-44H2,1H3.
What are the key properties of 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole?
5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 1059.33 g/mol, XLogP of 17.38, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)-5-methylcyclohexa-1,3-dien-1-yl]methyl]-3-(4-pyrido[4,3-b]indol-5-ylphenyl)-2-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 163995751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).