4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole

C46H32N4O — CID 163785582

IUPAC4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole
SMILESCC12C=CC=CC1N(c1ccc3c(c1)c1ccccc1n3-c1cccc(-c3cccc(-n4c5ccccc5c5ccoc54)c3)n1)c1ccccc12
InChIInChI=1S/C46H32N4O/c1-46-26-9-8-21-43(46)48(42-20-7-4-16-37(42)46)32-23-24-41-36(29-32)34-15-3-6-19-40(34)50(41)44-22-11-17-38(47-44)30-12-10-13-31(28-30)49-39-18-5-2-14-33(39)35-25-27-51-45(35)49/h2-29,43H,1H3
InChIKeyMSFZWSGBMCASPO-UHFFFAOYSA-N
MW656.79 g/mol
LogP11.44
Rot. Bonds4

About 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole

4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole (PubChem CID 163785582) has the molecular formula C46H32N4O and a molecular weight of 656.79 g/mol. Its IUPAC name is 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole.

Molecular Properties

Compound Name4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole
PubChem CID163785582
Molecular FormulaC46H32N4O
Molecular Weight656.79 g/mol
Exact Mass656.26
IUPAC Name4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole
SMILESCC12C=CC=CC1N(c1ccc3c(c1)c1ccccc1n3-c1cccc(-c3cccc(-n4c5ccccc5c5ccoc54)c3)n1)c1ccccc12
InChIInChI=1S/C46H32N4O/c1-46-26-9-8-21-43(46)48(42-20-7-4-16-37(42)46)32-23-24-41-36(29-32)34-15-3-6-19-40(34)50(41)44-22-11-17-38(47-44)30-12-10-13-31(28-30)49-39-18-5-2-14-33(39)35-25-27-51-45(35)49/h2-29,43H,1H3
InChIKeyMSFZWSGBMCASPO-UHFFFAOYSA-N
XLogP11.44
TPSA39.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 165037523
9-[3-(4b-methyl-8aH-carbazol-9-yl)-5-carbazol-9-ylphenyl]carbazole
CID 91518473
7-furo[2,3-b]indol-4-yl-4-[3-(3-furo[2,3-b]indol-4-ylphenyl)phenyl]furo[2,3-b]indole
CID 126749681
3-(4a,4b-dimethyl-8a,9a-dihydrocarbazol-9-yl)-9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-methyl-4H-carbazole
CID 163729639
3-(4b-methyl-8aH-carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146521279
9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
CID 158139061
3-(8-carbazol-9-yl-4b-methyl-8aH-carbazol-9-yl)-6-(1-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 137446708
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 58570039
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;9-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]carbazole;9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole;tetradeca-1,3,5,7,9,11,13-heptayne
CID 164998380
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole
CID 163507706

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole?
The IUPAC name of 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole (CID 163785582) is 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole.
What is the SMILES notation for 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole?
The canonical SMILES for 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole is CC12C=CC=CC1N(c1ccc3c(c1)c1ccccc1n3-c1cccc(-c3cccc(-n4c5ccccc5c5ccoc54)c3)n1)c1ccccc12.
What is the InChIKey of 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole?
The InChIKey is MSFZWSGBMCASPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4O/c1-46-26-9-8-21-43(46)48(42-20-7-4-16-37(42)46)32-23-24-41-36(29-32)34-15-3-6-19-40(34)50(41)44-22-11-17-38(47-44)30-12-10-13-31(28-30)49-39-18-5-2-14-33(39)35-25-27-51-45(35)49/h2-29,43H,1H3.
What are the key properties of 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole?
4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole has a molecular weight of 656.79 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[3-(4b-methyl-8aH-carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]phenyl]furo[2,3-b]indole is sourced from PubChem (CID 163785582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).