4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

C60H58N4O — CID 143830657

IUPAC4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESCCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CCC)C1(C)C=Cc2c(c3ccccc3n2-c2ccnc3c2oc2ccccc23)C1)n1c2c(c3ccccc31)C=CC(C)C2
InChIInChI=1S/C60H58N4O/c1-7-32-59(6,63-50-23-15-11-18-41(50)44-28-26-39(4)36-54(44)63)40-27-29-52-46(37-40)42-19-12-16-24-51(42)64(52)60(9-3,33-8-2)58(5)34-30-49-47(38-58)43-20-10-14-22-48(43)62(49)53-31-35-61-56-45-21-13-17-25-55(45)65-57(53)56/h10-31,34-35,37,39H,7-9,32-33,36,38H2,1-6H3
InChIKeyOKPGKGZLRYDBRY-UHFFFAOYSA-N
MW851.15 g/mol
LogP15.94
Rot. Bonds10

About 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 143830657) has the molecular formula C60H58N4O and a molecular weight of 851.15 g/mol. Its IUPAC name is 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID143830657
Molecular FormulaC60H58N4O
Molecular Weight851.15 g/mol
Exact Mass850.46
IUPAC Name4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESCCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CCC)C1(C)C=Cc2c(c3ccccc3n2-c2ccnc3c2oc2ccccc23)C1)n1c2c(c3ccccc31)C=CC(C)C2
InChIInChI=1S/C60H58N4O/c1-7-32-59(6,63-50-23-15-11-18-41(50)44-28-26-39(4)36-54(44)63)40-27-29-52-46(37-40)42-19-12-16-24-51(42)64(52)60(9-3,33-8-2)58(5)34-30-49-47(38-58)43-20-10-14-22-48(43)62(49)53-31-35-61-56-45-21-13-17-25-55(45)65-57(53)56/h10-31,34-35,37,39H,7-9,32-33,36,38H2,1-6H3
InChIKeyOKPGKGZLRYDBRY-UHFFFAOYSA-N
XLogP15.94
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.15
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

6-[3-[3-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]pentan-3-yl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 70998803
8-[3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine
CID 143830673
3-tert-butyl-9-[3-[3-(3-tert-butyl-3-methyl-4H-carbazol-9-yl)phenyl]phenyl]carbazole
CID 123897141
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
4-[3-[1-[3-(2-carbazol-9-ylpentan-2-yl)carbazol-9-yl]propyl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 143830621
8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine
CID 130286894
3-(2-carbazol-9-yl-5-cyanophenyl)-4-(10-methyl-10,11-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)benzonitrile
CID 155299843
2-methyl-9-[7-(1-methyl-1,2,5,6-tetrahydrocarbazol-9-yl)dibenzofuran-3-yl]-1,2-dihydrocarbazole
CID 163580956
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
3-[6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144585567
N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
CID 163884371
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
CID 146532040

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (CID 143830657) is 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is CCCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(CCC)C1(C)C=Cc2c(c3ccccc3n2-c2ccnc3c2oc2ccccc23)C1)n1c2c(c3ccccc31)C=CC(C)C2.
What is the InChIKey of 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is OKPGKGZLRYDBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58N4O/c1-7-32-59(6,63-50-23-15-11-18-41(50)44-28-26-39(4)36-54(44)63)40-27-29-52-46(37-40)42-19-12-16-24-51(42)64(52)60(9-3,33-8-2)58(5)34-30-49-47(38-58)43-20-10-14-22-48(43)62(49)53-31-35-61-56-45-21-13-17-25-55(45)65-57(53)56/h10-31,34-35,37,39H,7-9,32-33,36,38H2,1-6H3.
What are the key properties of 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 851.15 g/mol, XLogP of 15.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-3-[3-[3-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)pentan-2-yl]carbazol-9-yl]hexan-3-yl]-4H-carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 143830657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).