10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C57H38N2O — CID 134223734

IUPAC10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C57H38N2O/c1-57(2)49-19-11-9-17-41(49)43-31-46-44-29-37(24-28-52(44)59(53(46)33-50(43)57)40-25-21-36(22-26-40)35-13-5-3-6-14-35)38-23-27-51-45(30-38)47-32-48-42-18-10-12-20-55(42)60-56(48)34-54(47)58(51)39-15-7-4-8-16-39/h3-34H,1-2H3
InChIKeyIIKGCMPMDXPKEC-UHFFFAOYSA-N
MW766.94 g/mol
LogP15.42
Rot. Bonds4

About 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223734) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID134223734
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC Name10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C57H38N2O/c1-57(2)49-19-11-9-17-41(49)43-31-46-44-29-37(24-28-52(44)59(53(46)33-50(43)57)40-25-21-36(22-26-40)35-13-5-3-6-14-35)38-23-27-51-45(30-38)47-32-48-42-18-10-12-20-55(42)60-56(48)34-54(47)58(51)39-15-7-4-8-16-39/h3-34H,1-2H3
InChIKeyIIKGCMPMDXPKEC-UHFFFAOYSA-N
XLogP15.42
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.94
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
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
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
10-[5-(2,6-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223360
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223350
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-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 121459492
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800

Frequently Asked Questions

What is the IUPAC name of 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 134223734) is 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc4n(-c4ccc(-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is IIKGCMPMDXPKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-57(2)49-19-11-9-17-41(49)43-31-46-44-29-37(24-28-52(44)59(53(46)33-50(43)57)40-25-21-36(22-26-40)35-13-5-3-6-14-35)38-23-27-51-45(30-38)47-32-48-42-18-10-12-20-55(42)60-56(48)34-54(47)58(51)39-15-7-4-8-16-39/h3-34H,1-2H3.
What are the key properties of 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 766.94 g/mol, XLogP of 15.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).