11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

C43H30N2O — CID 126695598

IUPAC11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESCC1(c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)CC=CC=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H30N2O/c1-43(25-13-12-24-42(43)45-36-20-8-2-14-28(36)29-15-3-9-21-37(29)45)34-18-6-10-22-38(34)44-35-19-7-4-16-30(35)32-27-41-33(26-39(32)44)31-17-5-11-23-40(31)46-41/h2-24,26-27H,25H2,1H3
InChIKeyDDDJABLQBHKQDR-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.55
Rot. Bonds3

About 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 126695598) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID126695598
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESCC1(c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)CC=CC=C1n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H30N2O/c1-43(25-13-12-24-42(43)45-36-20-8-2-14-28(36)29-15-3-9-21-37(29)45)34-18-6-10-22-38(34)44-35-19-7-4-16-30(35)32-27-41-33(26-39(32)44)31-17-5-11-23-40(31)46-41/h2-24,26-27H,25H2,1H3
InChIKeyDDDJABLQBHKQDR-UHFFFAOYSA-N
XLogP11.55
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 118488526
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351939
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516
4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile
CID 129300231
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388
3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole
CID 144963729
11-[2-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126695708
30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361076
CID 155427883
CID 155427883
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078

Frequently Asked Questions

What is the IUPAC name of 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 126695598) is 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is CC1(c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)CC=CC=C1n1c2ccccc2c2ccccc21.
What is the InChIKey of 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is DDDJABLQBHKQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43(25-13-12-24-42(43)45-36-20-8-2-14-28(36)29-15-3-9-21-37(29)45)34-18-6-10-22-38(34)44-35-19-7-4-16-30(35)32-27-41-33(26-39(32)44)31-17-5-11-23-40(31)46-41/h2-24,26-27H,25H2,1H3.
What are the key properties of 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 590.73 g/mol, XLogP of 11.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(2-carbazol-9-yl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 126695598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).