7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole

C61H40N2O — CID 134516497

IUPAC7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)c7c6c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C61H40N2O/c1-61(2)51-22-12-11-20-45(51)46-35-48-47-32-38(25-28-53(47)63(56(48)36-52(46)61)42-17-7-4-8-18-42)39-27-31-57-50(33-39)60-44(21-13-23-58(60)64-57)40-26-29-54-49(34-40)59-43-19-10-9-14-37(43)24-30-55(59)62(54)41-15-5-3-6-16-41/h3-36H,1-2H3
InChIKeyFZUFOIJLQHBHMP-UHFFFAOYSA-N
MW817.00 g/mol
LogP16.57
Rot. Bonds4

About 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole

7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole (PubChem CID 134516497) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
PubChem CID134516497
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC Name7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)c7c6c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C61H40N2O/c1-61(2)51-22-12-11-20-45(51)46-35-48-47-32-38(25-28-53(47)63(56(48)36-52(46)61)42-17-7-4-8-18-42)39-27-31-57-50(33-39)60-44(21-13-23-58(60)64-57)40-26-29-54-49(34-40)59-43-19-10-9-14-37(43)24-30-55(59)62(54)41-15-5-3-6-16-41/h3-36H,1-2H3
InChIKeyFZUFOIJLQHBHMP-UHFFFAOYSA-N
XLogP16.57
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
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
7,7-dimethyl-5-phenyl-2-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134594832
3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one
CID 121242499
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
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
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
3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 158316939

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole (CID 134516497) is 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)c7c6c5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole?
The InChIKey is FZUFOIJLQHBHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-61(2)51-22-12-11-20-45(51)46-35-48-47-32-38(25-28-53(47)63(56(48)36-52(46)61)42-17-7-4-8-18-42)39-27-31-57-50(33-39)60-44(21-13-23-58(60)64-57)40-26-29-54-49(34-40)59-43-19-10-9-14-37(43)24-30-55(59)62(54)41-15-5-3-6-16-41/h3-36H,1-2H3.
What are the key properties of 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole has a molecular weight of 817.00 g/mol, XLogP of 16.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 134516497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).