2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole

C96H58N4O2 — CID 167269862

IUPAC2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4c(-c5ccc6c7cc(-c8ccc9c(c8)oc8cc(-n%10c%11ccccc%11c%11c(-c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cccc%11%10)ccc89)ccc7n(-c7ccccc7)c6c5)cccc43)c2)cc1
InChIInChI=1S/C96H58N4O2/c1-4-21-59(22-5-1)64-51-65(72-33-18-34-79-76-28-13-17-40-91(76)102-96(72)79)53-69(52-64)100-85-37-16-12-30-81(85)95-71(32-20-39-88(95)100)63-43-47-75-82-54-60(44-50-86(82)98(90(75)56-63)67-25-8-3-9-26-67)61-41-48-77-78-49-45-68(58-93(78)101-92(77)57-61)99-84-36-15-11-29-80(84)94-70(31-19-38-87(94)99)62-42-46-74-73-27-10-14-35-83(73)97(89(74)55-62)66-23-6-2-7-24-66/h1-58H
InChIKeyCWSPCFIIZHOZQM-UHFFFAOYSA-N
MW1299.55 g/mol
LogP26.21
Rot. Bonds9

About 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole

2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole (PubChem CID 167269862) has the molecular formula C96H58N4O2 and a molecular weight of 1299.55 g/mol. Its IUPAC name is 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
PubChem CID167269862
Molecular FormulaC96H58N4O2
Molecular Weight1299.55 g/mol
Exact Mass1298.46
IUPAC Name2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4c(-c5ccc6c7cc(-c8ccc9c(c8)oc8cc(-n%10c%11ccccc%11c%11c(-c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cccc%11%10)ccc89)ccc7n(-c7ccccc7)c6c5)cccc43)c2)cc1
InChIInChI=1S/C96H58N4O2/c1-4-21-59(22-5-1)64-51-65(72-33-18-34-79-76-28-13-17-40-91(76)102-96(72)79)53-69(52-64)100-85-37-16-12-30-81(85)95-71(32-20-39-88(95)100)63-43-47-75-82-54-60(44-50-86(82)98(90(75)56-63)67-25-8-3-9-26-67)61-41-48-77-78-49-45-68(58-93(78)101-92(77)57-61)99-84-36-15-11-29-80(84)94-70(31-19-38-87(94)99)62-42-46-74-73-27-10-14-35-83(73)97(89(74)55-62)66-23-6-2-7-24-66/h1-58H
InChIKeyCWSPCFIIZHOZQM-UHFFFAOYSA-N
XLogP26.21
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.55
LogP ≤ 526.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole with MolForge

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Related Compounds

2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
4-[9-(2-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(2-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(3-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-[3-(3-dibenzofuran-1-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;4-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 167569860
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
9-[3-carbazol-9-yl-5-(4-dibenzofuran-3-ylphenyl)phenyl]carbazole;9-[4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 163688539
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
2-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-[9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(8-dibenzofuran-4-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-2-yl)-9-[4-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenyl]carbazole
CID 167664300
3-dibenzofuran-3-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 163517609
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-9-phenylcarbazole;3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-9-phenylcarbazole;9-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;9-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3,6-diphenylcarbazole
CID 165089608

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole (CID 167269862) is 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole is c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4c(-c5ccc6c7cc(-c8ccc9c(c8)oc8cc(-n%10c%11ccccc%11c%11c(-c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cccc%11%10)ccc89)ccc7n(-c7ccccc7)c6c5)cccc43)c2)cc1.
What is the InChIKey of 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is CWSPCFIIZHOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H58N4O2/c1-4-21-59(22-5-1)64-51-65(72-33-18-34-79-76-28-13-17-40-91(76)102-96(72)79)53-69(52-64)100-85-37-16-12-30-81(85)95-71(32-20-39-88(95)100)63-43-47-75-82-54-60(44-50-86(82)98(90(75)56-63)67-25-8-3-9-26-67)61-41-48-77-78-49-45-68(58-93(78)101-92(77)57-61)99-84-36-15-11-29-80(84)94-70(31-19-38-87(94)99)62-42-46-74-73-27-10-14-35-83(73)97(89(74)55-62)66-23-6-2-7-24-66/h1-58H.
What are the key properties of 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole?
2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 1299.55 g/mol, XLogP of 26.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 167269862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).