2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

C69H44N2O2 — CID 134516211

IUPAC2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(-c9cccc%10oc%11ccccc%11c9%10)cc8)cc7c56)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C69H44N2O2/c1-69(2)57-21-9-6-16-49(57)52-39-55-54-38-44(29-34-61(54)71(62(55)40-58(52)69)45-14-4-3-5-15-45)48-20-13-25-66-68(48)56-37-43(30-35-64(56)73-66)42-28-33-60-53(36-42)50-17-7-10-22-59(50)70(60)46-31-26-41(27-32-46)47-19-12-24-65-67(47)51-18-8-11-23-63(51)72-65/h3-40H,1-2H3
InChIKeyWSJFPNXYLYOJKU-UHFFFAOYSA-N
MW933.12 g/mol
LogP18.99
Rot. Bonds5

About 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 134516211) has the molecular formula C69H44N2O2 and a molecular weight of 933.12 g/mol. Its IUPAC name is 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
PubChem CID134516211
Molecular FormulaC69H44N2O2
Molecular Weight933.12 g/mol
Exact Mass932.34
IUPAC Name2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(-c9cccc%10oc%11ccccc%11c9%10)cc8)cc7c56)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C69H44N2O2/c1-69(2)57-21-9-6-16-49(57)52-39-55-54-38-44(29-34-61(54)71(62(55)40-58(52)69)45-14-4-3-5-15-45)48-20-13-25-66-68(48)56-37-43(30-35-64(56)73-66)42-28-33-60-53(36-42)50-17-7-10-22-59(50)70(60)46-31-26-41(27-32-46)47-19-12-24-65-67(47)51-18-8-11-23-63(51)72-65/h3-40H,1-2H3
InChIKeyWSJFPNXYLYOJKU-UHFFFAOYSA-N
XLogP18.99
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.12
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Czbdf
CID 91972134
Biphenyl-4-yl-(3'-carbazol-9-yl-biphenyl-4-yl)-(4-dibenzofuran-4-yl-phenyl)-amine
CID 118952247
4-[7-[2-[12-(2-Hexyldecoxy)-18-(2-hexyldecyl)-15,15-bis(4-hexylphenyl)-18-azaoctacyclo[15.11.0.02,7.03,26.08,16.09,14.019,28.022,27]octacosa-1(17),2,4,6,8(16),9(14),10,12,19(28),20,22,24,26-tridecaen-21-yl]ethynyl]-2,1,3-benzothiadiazol-4-yl]benzoic acid
CID 121440330
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230151
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230295
19-[7-(2,3,4,5,6-Pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414569
N-(4-dibenzofuran-4-ylphenyl)-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 89531451
1-{11-(2-ethylhexyl)-5-[4-(6-{4-[11-(2-ethylhexyl)-8-(3,5,5-trimethyl-hexanoyl)-11H-benzo[a]carbazole-5-carbonyl]-phenoxy}-2,2,3,3,4,4,5,5-octafluoro-hexyloxy)-benzoyl]-11H-benzo[a]carbazol-8-yl}-3,5,5-trimethyl-hexan-1-one
CID 89627666
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 89965883
2-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[6-(2-methyl-1,3-benzoxazol-6-yl)-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]-5-[9-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1,3-benzoxazole
CID 89973721

Frequently Asked Questions

What is the IUPAC name of 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 134516211) is 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(-c9cccc%10oc%11ccccc%11c9%10)cc8)cc7c56)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The InChIKey is WSJFPNXYLYOJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2O2/c1-69(2)57-21-9-6-16-49(57)52-39-55-54-38-44(29-34-61(54)71(62(55)40-58(52)69)45-14-4-3-5-15-45)48-20-13-25-66-68(48)56-37-43(30-35-64(56)73-66)42-28-33-60-53(36-42)50-17-7-10-22-59(50)70(60)46-31-26-41(27-32-46)47-19-12-24-65-67(47)51-18-8-11-23-63(51)72-65/h3-40H,1-2H3.
What are the key properties of 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 933.12 g/mol, XLogP of 18.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 134516211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).