1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole

C49H32N2O — CID 90348695

IUPAC1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1-c1cccc2c3ccccc3n(-c3ccc4oc5ccccc5c4c3)c12
InChIInChI=1S/C49H32N2O/c1-31-14-5-6-17-34(31)38-27-28-40-36-19-8-10-23-43(36)50(32-15-3-2-4-16-32)49(40)47(38)41-22-13-21-39-35-18-7-11-24-44(35)51(48(39)41)33-26-29-46-42(30-33)37-20-9-12-25-45(37)52-46/h2-30H,1H3
InChIKeyFIQFIGZYMMAJID-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.42
Rot. Bonds4

About 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole

1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole (PubChem CID 90348695) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole
PubChem CID90348695
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1-c1cccc2c3ccccc3n(-c3ccc4oc5ccccc5c4c3)c12
InChIInChI=1S/C49H32N2O/c1-31-14-5-6-17-34(31)38-27-28-40-36-19-8-10-23-43(36)50(32-15-3-2-4-16-32)49(40)47(38)41-22-13-21-39-35-18-7-11-24-44(35)51(48(39)41)33-26-29-46-42(30-33)37-20-9-12-25-45(37)52-46/h2-30H,1H3
InChIKeyFIQFIGZYMMAJID-UHFFFAOYSA-N
XLogP13.42
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole
CID 160575658
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
9-dibenzofuran-2-yl-3-[4-methyl-3,5-bis(2-methylphenyl)phenyl]carbazole
CID 156734886
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
9-dibenzofuran-2-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501188
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 90348701
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
9-dibenzofuran-2-yl-4-methylcarbazole
CID 134235790

Frequently Asked Questions

What is the IUPAC name of 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole?
The IUPAC name of 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole (CID 90348695) is 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole?
The canonical SMILES for 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole is Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1-c1cccc2c3ccccc3n(-c3ccc4oc5ccccc5c4c3)c12.
What is the InChIKey of 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole?
The InChIKey is FIQFIGZYMMAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-31-14-5-6-17-34(31)38-27-28-40-36-19-8-10-23-43(36)50(32-15-3-2-4-16-32)49(40)47(38)41-22-13-21-39-35-18-7-11-24-44(35)51(48(39)41)33-26-29-46-42(30-33)37-20-9-12-25-45(37)52-46/h2-30H,1H3.
What are the key properties of 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole?
1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole has a molecular weight of 664.81 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-dibenzofuran-2-ylcarbazol-1-yl)-2-(2-methylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 90348695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).