9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole

C60H34N2O3 — CID 59348295

IUPAC9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)cc6c5c4)cc3c2c1
InChIInChI=1S/C60H34N2O3/c1-5-13-51-41(9-1)42-10-2-6-14-52(42)61(51)39-21-27-59-49(33-39)47-31-37(19-25-57(47)64-59)35-17-23-55-45(29-35)46-30-36(18-24-56(46)63-55)38-20-26-58-48(32-38)50-34-40(22-28-60(50)65-58)62-53-15-7-3-11-43(53)44-12-4-8-16-54(44)62/h1-34H
InChIKeyBTWMVHCHCIKCFN-UHFFFAOYSA-N
MW830.94 g/mol
LogP16.91
Rot. Bonds4

About 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole

9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 59348295) has the molecular formula C60H34N2O3 and a molecular weight of 830.94 g/mol. Its IUPAC name is 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
PubChem CID59348295
Molecular FormulaC60H34N2O3
Molecular Weight830.94 g/mol
Exact Mass830.26
IUPAC Name9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)cc6c5c4)cc3c2c1
InChIInChI=1S/C60H34N2O3/c1-5-13-51-41(9-1)42-10-2-6-14-52(42)61(51)39-21-27-59-49(33-39)47-31-37(19-25-57(47)64-59)35-17-23-55-45(29-35)46-30-36(18-24-56(46)63-55)38-20-26-58-48(32-38)50-34-40(22-28-60(50)65-58)62-53-15-7-3-11-43(53)44-12-4-8-16-54(44)62/h1-34H
InChIKeyBTWMVHCHCIKCFN-UHFFFAOYSA-N
XLogP16.91
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.94
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[16-(16-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-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-[16-[2,4,5-tris(16-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-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147302
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068

Frequently Asked Questions

What is the IUPAC name of 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole (CID 59348295) is 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c8c7)cc6c5c4)cc3c2c1.
What is the InChIKey of 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is BTWMVHCHCIKCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2O3/c1-5-13-51-41(9-1)42-10-2-6-14-52(42)61(51)39-21-27-59-49(33-39)47-31-37(19-25-57(47)64-59)35-17-23-55-45(29-35)46-30-36(18-24-56(46)63-55)38-20-26-58-48(32-38)50-34-40(22-28-60(50)65-58)62-53-15-7-3-11-43(53)44-12-4-8-16-54(44)62/h1-34H.
What are the key properties of 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 830.94 g/mol, XLogP of 16.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 59348295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).