9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole

C49H34N2O — CID 163978275

IUPAC9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole
SMILESCC1C=CC=CC1c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C49H34N2O/c1-31-11-5-6-14-37(31)34-20-24-47-41(28-34)40-27-33(32-12-3-2-4-13-32)19-23-46(40)51(47)36-22-26-49-43(30-36)42-29-35(21-25-48(42)52-49)50-44-17-9-7-15-38(44)39-16-8-10-18-45(39)50/h2-31,37H,1H3
InChIKeySWCAHDYITKUJNL-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.29
Rot. Bonds4

About 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole

9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole (PubChem CID 163978275) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole
PubChem CID163978275
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole
SMILESCC1C=CC=CC1c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C49H34N2O/c1-31-11-5-6-14-37(31)34-20-24-47-41(28-34)40-27-33(32-12-3-2-4-13-32)19-23-46(40)51(47)36-22-26-49-43(30-36)42-29-35(21-25-48(42)52-49)50-44-17-9-7-15-38(44)39-16-8-10-18-45(39)50/h2-31,37H,1H3
InChIKeySWCAHDYITKUJNL-UHFFFAOYSA-N
XLogP13.29
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
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-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068

Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole?
The IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole (CID 163978275) is 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole?
The canonical SMILES for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole is CC1C=CC=CC1c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole?
The InChIKey is SWCAHDYITKUJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-31-11-5-6-14-37(31)34-20-24-47-41(28-34)40-27-33(32-12-3-2-4-13-32)19-23-46(40)51(47)36-22-26-49-43(30-36)42-29-35(21-25-48(42)52-49)50-44-17-9-7-15-38(44)39-16-8-10-18-45(39)50/h2-31,37H,1H3.
What are the key properties of 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole?
9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole has a molecular weight of 666.82 g/mol, XLogP of 13.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenylcarbazole is sourced from PubChem (CID 163978275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).