5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole

C61H45N5 — CID 70971563

IUPAC5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole
SMILESCc1cc(N2c3ccncc3C3C=CC=CC32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C)cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)c1
InChIInChI=1S/C61H45N5/c1-38-30-44(64-56-16-8-4-12-50(56)51-13-5-9-17-57(51)64)20-23-47(38)41-33-42(48-24-21-45(31-39(48)2)65-58-18-10-6-14-52(58)54-36-62-28-26-60(54)65)35-43(34-41)49-25-22-46(32-40(49)3)66-59-19-11-7-15-53(59)55-37-63-29-27-61(55)66/h4-37,52,58H,1-3H3
InChIKeyAVZNFKLVAUQOBC-UHFFFAOYSA-N
MW848.07 g/mol
LogP15.33
Rot. Bonds6

About 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole

5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole (PubChem CID 70971563) has the molecular formula C61H45N5 and a molecular weight of 848.07 g/mol. Its IUPAC name is 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole
PubChem CID70971563
Molecular FormulaC61H45N5
Molecular Weight848.07 g/mol
Exact Mass847.37
IUPAC Name5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole
SMILESCc1cc(N2c3ccncc3C3C=CC=CC32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C)cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)c1
InChIInChI=1S/C61H45N5/c1-38-30-44(64-56-16-8-4-12-50(56)51-13-5-9-17-57(51)64)20-23-47(38)41-33-42(48-24-21-45(31-39(48)2)65-58-18-10-6-14-52(58)54-36-62-28-26-60(54)65)35-43(34-41)49-25-22-46(32-40(49)3)66-59-19-11-7-15-53(59)55-37-63-29-27-61(55)66/h4-37,52,58H,1-3H3
InChIKeyAVZNFKLVAUQOBC-UHFFFAOYSA-N
XLogP15.33
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.07
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole (CID 70971563) is 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole is Cc1cc(N2c3ccncc3C3C=CC=CC32)ccc1-c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C)cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2C)c1.
What is the InChIKey of 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole?
The InChIKey is AVZNFKLVAUQOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N5/c1-38-30-44(64-56-16-8-4-12-50(56)51-13-5-9-17-57(51)64)20-23-47(38)41-33-42(48-24-21-45(31-39(48)2)65-58-18-10-6-14-52(58)54-36-62-28-26-60(54)65)35-43(34-41)49-25-22-46(32-40(49)3)66-59-19-11-7-15-53(59)55-37-63-29-27-61(55)66/h4-37,52,58H,1-3H3.
What are the key properties of 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole?
5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole has a molecular weight of 848.07 g/mol, XLogP of 15.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[4-(5a,9a-dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 70971563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).