9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole

C53H37NO — CID 126592464

IUPAC9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C(c1cc(-c2cccc4c2oc2ccccc24)cc(-n2c4ccccc4c4ccccc42)c1)Cc1ccccc1-3
InChIInChI=1S/C53H37NO/c1-53(2)47-22-9-5-16-38(47)46-30-44-36-15-4-3-14-32(36)29-43(45(44)31-48(46)53)34-26-33(37-20-13-21-42-41-19-8-12-25-51(41)55-52(37)42)27-35(28-34)54-49-23-10-6-17-39(49)40-18-7-11-24-50(40)54/h3-28,30-31,43H,29H2,1-2H3
InChIKeyJAVOLFPMDJIONG-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.01
Rot. Bonds3

About 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole

9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole (PubChem CID 126592464) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole
PubChem CID126592464
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C(c1cc(-c2cccc4c2oc2ccccc24)cc(-n2c4ccccc4c4ccccc42)c1)Cc1ccccc1-3
InChIInChI=1S/C53H37NO/c1-53(2)47-22-9-5-16-38(47)46-30-44-36-15-4-3-14-32(36)29-43(45(44)31-48(46)53)34-26-33(37-20-13-21-42-41-19-8-12-25-51(41)55-52(37)42)27-35(28-34)54-49-23-10-6-17-39(49)40-18-7-11-24-50(40)54/h3-28,30-31,43H,29H2,1-2H3
InChIKeyJAVOLFPMDJIONG-UHFFFAOYSA-N
XLogP14.01
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole with MolForge

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Related Compounds

9-[3-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]carbazole
CID 135258851
5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534938
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 142380767
5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123682532
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
12-[3-[3-[5-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 123161041
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[b]fluoren-2-yl)indolo[2,3-b]carbazole
CID 126580142
9-(3-bromo-5-dibenzofuran-4-ylphenyl)carbazole
CID 122497163
2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole
CID 145348092
5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126628971

Frequently Asked Questions

What is the IUPAC name of 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole?
The IUPAC name of 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole (CID 126592464) is 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole?
The canonical SMILES for 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)C(c1cc(-c2cccc4c2oc2ccccc24)cc(-n2c4ccccc4c4ccccc42)c1)Cc1ccccc1-3.
What is the InChIKey of 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole?
The InChIKey is JAVOLFPMDJIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)47-22-9-5-16-38(47)46-30-44-36-15-4-3-14-32(36)29-43(45(44)31-48(46)53)34-26-33(37-20-13-21-42-41-19-8-12-25-51(41)55-52(37)42)27-35(28-34)54-49-23-10-6-17-39(49)40-18-7-11-24-50(40)54/h3-28,30-31,43H,29H2,1-2H3.
What are the key properties of 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole?
9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole has a molecular weight of 703.89 g/mol, XLogP of 14.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-dibenzofuran-4-yl-5-(10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaenyl)phenyl]carbazole is sourced from PubChem (CID 126592464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).