3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole

C48H30N2O — CID 168850152

IUPAC3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c23)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-31(13-4-1)34-22-25-38-47(30-34)51-46-21-11-20-45(48(38)46)50-42-19-10-8-17-37(42)40-29-33(24-27-44(40)50)32-23-26-43-39(28-32)36-16-7-9-18-41(36)49(43)35-14-5-2-6-15-35/h1-30H
InChIKeyARPSQIKVRACXAY-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole (PubChem CID 168850152) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
PubChem CID168850152
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c23)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-31(13-4-1)34-22-25-38-47(30-34)51-46-21-11-20-45(48(38)46)50-42-19-10-8-17-37(42)40-29-33(24-27-44(40)50)32-23-26-43-39(28-32)36-16-7-9-18-41(36)49(43)35-14-5-2-6-15-35/h1-30H
InChIKeyARPSQIKVRACXAY-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

9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-(9-phenylcarbazol-3-yl)-9-(8-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6(11),7,9,12(17),13,15-nonaen-4-yl)carbazole
CID 169060676
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168773
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole (CID 168850152) is 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole is c1ccc(-c2ccc3c(c2)oc2cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c23)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole?
The InChIKey is ARPSQIKVRACXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-12-31(13-4-1)34-22-25-38-47(30-34)51-46-21-11-20-45(48(38)46)50-42-19-10-8-17-37(42)40-29-33(24-27-44(40)50)32-23-26-43-39(28-32)36-16-7-9-18-41(36)49(43)35-14-5-2-6-15-35/h1-30H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-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 3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole is sourced from PubChem (CID 168850152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).