3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole

C48H29N3O — CID 123285372

IUPAC3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc12
InChIInChI=1S/C48H29N3O/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-23-26-46-40(27-30)37-15-5-10-20-45(37)51(46)32-22-25-39-38-24-21-31(28-47(38)52-48(39)29-32)50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50/h1-29H
InChIKeyGFTUZILGGXHNFG-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.88
Rot. Bonds3

About 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole

3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole (PubChem CID 123285372) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
PubChem CID123285372
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc12
InChIInChI=1S/C48H29N3O/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-23-26-46-40(27-30)37-15-5-10-20-45(37)51(46)32-22-25-39-38-24-21-31(28-47(38)52-48(39)29-32)50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50/h1-29H
InChIKeyGFTUZILGGXHNFG-UHFFFAOYSA-N
XLogP12.88
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
9-(7-chlorodibenzofuran-3-yl)carbazole
CID 146507114
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole (CID 123285372) is 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc12.
What is the InChIKey of 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole?
The InChIKey is GFTUZILGGXHNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-23-26-46-40(27-30)37-15-5-10-20-45(37)51(46)32-22-25-39-38-24-21-31(28-47(38)52-48(39)29-32)50-43-18-8-3-13-35(43)36-14-4-9-19-44(36)50/h1-29H.
What are the key properties of 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole?
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole has a molecular weight of 663.78 g/mol, XLogP of 12.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole is sourced from PubChem (CID 123285372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).