3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole

C57H38N2O — CID 118099028

IUPAC3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc43)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C57H38N2O/c1-57(2)48-34-40(26-28-41(48)45-29-31-54-55(56(45)57)46-16-8-11-19-53(46)60-54)59-49-17-9-6-14-42(49)44-27-22-38(33-52(44)59)37-23-30-51-47(32-37)43-15-7-10-18-50(43)58(51)39-24-20-36(21-25-39)35-12-4-3-5-13-35/h3-34H,1-2H3
InChIKeyMQCVMPIIBPAGHG-UHFFFAOYSA-N
MW766.94 g/mol
LogP15.42
Rot. Bonds4

About 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole

3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 118099028) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole
PubChem CID118099028
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC Name3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc43)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C57H38N2O/c1-57(2)48-34-40(26-28-41(48)45-29-31-54-55(56(45)57)46-16-8-11-19-53(46)60-54)59-49-17-9-6-14-42(49)44-27-22-38(33-52(44)59)37-23-30-51-47(32-37)43-15-7-10-18-50(43)58(51)39-24-20-36(21-25-39)35-12-4-3-5-13-35/h3-34H,1-2H3
InChIKeyMQCVMPIIBPAGHG-UHFFFAOYSA-N
XLogP15.42
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.94
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-phenanthren-2-yl-6-(4-phenylphenyl)carbazole
CID 118098873
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 158220015
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
CID 118098971
3-dibenzofuran-2-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098960
9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 160839685
15,15-dimethyl-12-(4-triphenylen-2-ylphenyl)-24-oxa-12-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 118892015
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213172
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908

Frequently Asked Questions

What is the IUPAC name of 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole (CID 118099028) is 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole is CC1(C)c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)cc43)ccc2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is MQCVMPIIBPAGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-57(2)48-34-40(26-28-41(48)45-29-31-54-55(56(45)57)46-16-8-11-19-53(46)60-54)59-49-17-9-6-14-42(49)44-27-22-38(33-52(44)59)37-23-30-51-47(32-37)43-15-7-10-18-50(43)58(51)39-24-20-36(21-25-39)35-12-4-3-5-13-35/h3-34H,1-2H3.
What are the key properties of 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 766.94 g/mol, XLogP of 15.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 118099028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).