7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole

C51H34N2O — CID 134498087

IUPAC7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6c5c4)c3cc21
InChIInChI=1S/C51H34N2O/c1-51(2)42-19-9-6-15-35(42)38-29-40-37-17-8-11-21-45(37)53(47(40)30-43(38)51)33-24-26-48-41(28-33)50-34(18-12-22-49(50)54-48)31-23-25-46-39(27-31)36-16-7-10-20-44(36)52(46)32-13-4-3-5-14-32/h3-30H,1-2H3
InChIKeyFPNLZPIQTRIGIT-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.75
Rot. Bonds3

About 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole (PubChem CID 134498087) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
PubChem CID134498087
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6c5c4)c3cc21
InChIInChI=1S/C51H34N2O/c1-51(2)42-19-9-6-15-35(42)38-29-40-37-17-8-11-21-45(37)53(47(40)30-43(38)51)33-24-26-48-41(28-33)50-34(18-12-22-49(50)54-48)31-23-25-46-39(27-31)36-16-7-10-20-44(36)52(46)32-13-4-3-5-14-32/h3-30H,1-2H3
InChIKeyFPNLZPIQTRIGIT-UHFFFAOYSA-N
XLogP13.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134516497
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
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
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
7,7-dimethyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]indeno[2,1-b]carbazole;2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 158685021
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole (CID 134498087) is 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6c5c4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole?
The InChIKey is FPNLZPIQTRIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-51(2)42-19-9-6-15-35(42)38-29-40-37-17-8-11-21-45(37)53(47(40)30-43(38)51)33-24-26-48-41(28-33)50-34(18-12-22-49(50)54-48)31-23-25-46-39(27-31)36-16-7-10-20-44(36)52(46)32-13-4-3-5-14-32/h3-30H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole has a molecular weight of 690.85 g/mol, XLogP of 13.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 134498087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).