3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole

C48H32N2O — CID 69285159

IUPAC3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
SMILESC1=C(c2ccccc2)CCc2c1c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cccc3c2c1
InChIInChI=1S/C48H32N2O/c1-3-12-31(13-4-1)33-22-25-44-39(28-33)36-16-7-9-19-42(36)49(44)35-24-27-47-41(30-35)38-18-11-21-46(48(38)51-47)50-43-20-10-8-17-37(43)40-29-34(23-26-45(40)50)32-14-5-2-6-15-32/h1-21,23-24,26-30H,22,25H2
InChIKeyKMRXRVGFJOKZSJ-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.78
Rot. Bonds4

About 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole

3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole (PubChem CID 69285159) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
PubChem CID69285159
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
SMILESC1=C(c2ccccc2)CCc2c1c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cccc3c2c1
InChIInChI=1S/C48H32N2O/c1-3-12-31(13-4-1)33-22-25-44-39(28-33)36-16-7-9-19-42(36)49(44)35-24-27-47-41(30-35)38-18-11-21-46(48(38)51-47)50-43-20-10-8-17-37(43)40-29-34(23-26-45(40)50)32-14-5-2-6-15-32/h1-21,23-24,26-30H,22,25H2
InChIKeyKMRXRVGFJOKZSJ-UHFFFAOYSA-N
XLogP12.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 167701543
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 157053700
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole (CID 69285159) is 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole is C1=C(c2ccccc2)CCc2c1c1ccccc1n2-c1ccc2oc3c(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cccc3c2c1.
What is the InChIKey of 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is KMRXRVGFJOKZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-3-12-31(13-4-1)33-22-25-44-39(28-33)36-16-7-9-19-42(36)49(44)35-24-27-47-41(30-35)38-18-11-21-46(48(38)51-47)50-43-20-10-8-17-37(43)40-29-34(23-26-45(40)50)32-14-5-2-6-15-32/h1-21,23-24,26-30H,22,25H2.
What are the key properties of 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole?
3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 652.80 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 69285159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).