3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole

C48H29N3O — CID 176831663

IUPAC3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)oc1ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C48H29N3O/c1-6-17-39-32(12-1)33-13-2-7-18-40(33)49(39)30-24-26-44-37(28-30)36-16-5-10-21-43(36)51(44)45-22-11-23-47-48(45)38-29-31(25-27-46(38)52-47)50-41-19-8-3-14-34(41)35-15-4-9-20-42(35)50/h1-29H
InChIKeyGXICUWZSMLINQH-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.88
Rot. Bonds3

About 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole

3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole (PubChem CID 176831663) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
PubChem CID176831663
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)oc1ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C48H29N3O/c1-6-17-39-32(12-1)33-13-2-7-18-40(33)49(39)30-24-26-44-37(28-30)36-16-5-10-21-43(36)51(44)45-22-11-23-47-48(45)38-29-31(25-27-46(38)52-47)50-41-19-8-3-14-34(41)35-15-4-9-20-42(35)50/h1-29H
InChIKeyGXICUWZSMLINQH-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

3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
CID 170386086
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
21-(9-phenylcarbazol-3-yl)-6,11-dioxa-21-azahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaene
CID 135130599
2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
CID 171723066
9-dibenzofuran-1-yl-3-iodocarbazole
CID 90291712
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole;9-(7-carbazol-9-yldibenzofuran-2-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole;9-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole
CID 159764612
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole (CID 176831663) is 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole is c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)oc1ccc(-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole?
The InChIKey is GXICUWZSMLINQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-6-17-39-32(12-1)33-13-2-7-18-40(33)49(39)30-24-26-44-37(28-30)36-16-5-10-21-43(36)51(44)45-22-11-23-47-48(45)38-29-31(25-27-46(38)52-47)50-41-19-8-3-14-34(41)35-15-4-9-20-42(35)50/h1-29H.
What are the key properties of 3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole?
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-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-(8-carbazol-9-yldibenzofuran-1-yl)carbazole is sourced from PubChem (CID 176831663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).