9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole

C48H30N2O — CID 90321522

IUPAC9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc2-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-14-31(15-4-1)38-29-40-34-18-7-10-22-42(34)50(33-26-27-47-41(28-33)35-19-9-12-25-46(35)51-47)45(40)30-39(38)36-21-13-24-44-48(36)37-20-8-11-23-43(37)49(44)32-16-5-2-6-17-32/h1-30H
InChIKeySMMLVIXBKMINNW-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole

9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 90321522) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
PubChem CID90321522
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc2-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-14-31(15-4-1)38-29-40-34-18-7-10-22-42(34)50(33-26-27-47-41(28-33)35-19-9-12-25-46(35)51-47)45(40)30-39(38)36-21-13-24-44-48(36)37-20-8-11-23-43(37)49(44)32-16-5-2-6-17-32/h1-30H
InChIKeySMMLVIXBKMINNW-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
CID 90321574
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 90352217
9-(4-dibenzofuran-2-ylphenyl)-2-(9-phenylcarbazol-2-yl)-3-[6-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 167270038
4-(9-dibenzofuran-2-ylcarbazol-2-yl)-3,9-diphenylcarbazole
CID 90321713
3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
CID 170302335
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole
CID 118289106
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole (CID 90321522) is 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc2-c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is SMMLVIXBKMINNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-14-31(15-4-1)38-29-40-34-18-7-10-22-42(34)50(33-26-27-47-41(28-33)35-19-9-12-25-46(35)51-47)45(40)30-39(38)36-21-13-24-44-48(36)37-20-8-11-23-43(37)49(44)32-16-5-2-6-17-32/h1-30H.
What are the key properties of 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole?
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 90321522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).