6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole

C49H34N2O — CID 147834025

IUPAC6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
SMILESCC12C=CC=CC1c1cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5c4c3)ccc1N2c1ccccc1
InChIInChI=1S/C49H34N2O/c1-49-27-10-9-18-43(49)42-31-33(21-24-46(42)51(49)36-13-3-2-4-14-36)35-23-26-48-41(30-35)40-29-34(22-25-47(40)52-48)32-12-11-15-37(28-32)50-44-19-7-5-16-38(44)39-17-6-8-20-45(39)50/h2-31,43H,1H3
InChIKeyHRQUFABSMSJLGK-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.14
Rot. Bonds4

About 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole

6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole (PubChem CID 147834025) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole.

Molecular Properties

Compound Name6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
PubChem CID147834025
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
SMILESCC12C=CC=CC1c1cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5c4c3)ccc1N2c1ccccc1
InChIInChI=1S/C49H34N2O/c1-49-27-10-9-18-43(49)42-31-33(21-24-46(42)51(49)36-13-3-2-4-14-36)35-23-26-48-41(30-35)40-29-34(22-25-47(40)52-48)32-12-11-15-37(28-32)50-44-19-7-5-16-38(44)39-17-6-8-20-45(39)50/h2-31,43H,1H3
InChIKeyHRQUFABSMSJLGK-UHFFFAOYSA-N
XLogP13.14
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[3-[3-[5-[3-[8a-methyl-9-(2-phenylphenyl)-4bH-carbazol-3-yl]carbazol-9-yl]naphthalen-1-yl]phenyl]phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 163664569
12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163666254
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904

Frequently Asked Questions

What is the IUPAC name of 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole?
The IUPAC name of 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole (CID 147834025) is 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole.
What is the SMILES notation for 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole?
The canonical SMILES for 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole is CC12C=CC=CC1c1cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5c4c3)ccc1N2c1ccccc1.
What is the InChIKey of 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole?
The InChIKey is HRQUFABSMSJLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-49-27-10-9-18-43(49)42-31-33(21-24-46(42)51(49)36-13-3-2-4-14-36)35-23-26-48-41(30-35)40-29-34(22-25-47(40)52-48)32-12-11-15-37(28-32)50-44-19-7-5-16-38(44)39-17-6-8-20-45(39)50/h2-31,43H,1H3.
What are the key properties of 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole?
6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole has a molecular weight of 666.82 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole is sourced from PubChem (CID 147834025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).