9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole

C52H43NO — CID 154947416

IUPAC9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole
SMILESCC1(C)c2cc(-c3ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c3)ccc2-c2cc3c(cc21)-c1ccccc1CCCCCCC3
InChIInChI=1S/C52H43NO/c1-52(2)46-29-34(22-25-39(46)44-28-36-16-7-5-3-4-6-14-33-15-8-9-17-38(33)43(36)32-47(44)52)35-23-26-41-40-18-10-12-20-48(40)53(49(41)30-35)37-24-27-51-45(31-37)42-19-11-13-21-50(42)54-51/h8-13,15,17-32H,3-7,14,16H2,1-2H3
InChIKeyLGWJSAKWGKDVED-UHFFFAOYSA-N
MW697.92 g/mol
LogP14.37
Rot. Bonds2

About 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole

9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole (PubChem CID 154947416) has the molecular formula C52H43NO and a molecular weight of 697.92 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole
PubChem CID154947416
Molecular FormulaC52H43NO
Molecular Weight697.92 g/mol
Exact Mass697.33
IUPAC Name9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole
SMILESCC1(C)c2cc(-c3ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c3)ccc2-c2cc3c(cc21)-c1ccccc1CCCCCCC3
InChIInChI=1S/C52H43NO/c1-52(2)46-29-34(22-25-39(46)44-28-36-16-7-5-3-4-6-14-33-15-8-9-17-38(33)43(36)32-47(44)52)35-23-26-41-40-18-10-12-20-48(40)53(49(41)30-35)37-24-27-51-45(31-37)42-19-11-13-21-50(42)54-51/h8-13,15,17-32H,3-7,14,16H2,1-2H3
InChIKeyLGWJSAKWGKDVED-UHFFFAOYSA-N
XLogP14.37
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.92
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129200556
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
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
9-[3-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9,9-dimethylfluoren-2-yl]-5-phenylphenyl]carbazole
CID 71278034
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
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213188
5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632768
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
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8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole (CID 154947416) is 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole is CC1(C)c2cc(-c3ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c3)ccc2-c2cc3c(cc21)-c1ccccc1CCCCCCC3.
What is the InChIKey of 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole?
The InChIKey is LGWJSAKWGKDVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43NO/c1-52(2)46-29-34(22-25-39(46)44-28-36-16-7-5-3-4-6-14-33-15-8-9-17-38(33)43(36)32-47(44)52)35-23-26-41-40-18-10-12-20-48(40)53(49(41)30-35)37-24-27-51-45(31-37)42-19-11-13-21-50(42)54-51/h8-13,15,17-32H,3-7,14,16H2,1-2H3.
What are the key properties of 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole?
9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole has a molecular weight of 697.92 g/mol, XLogP of 14.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-2-(24,24-dimethyl-21-pentacyclo[13.11.0.02,7.017,25.018,23]hexacosa-1(26),2,4,6,15,17(25),18(23),19,21-nonaenyl)carbazole is sourced from PubChem (CID 154947416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).