5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole

C60H51BN2O2 — CID 66797840

IUPAC5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccc(B8OC(C)(C)C(C)(C)O8)cc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)cc5)cc4)c3cc21
InChIInChI=1S/C60H51BN2O2/c1-57(2)49-18-12-9-15-41(49)44-32-47-43-17-11-14-20-53(43)62(55(47)34-51(44)57)39-26-21-36(22-27-39)37-23-28-40(29-24-37)63-54-30-25-38(61-64-59(5,6)60(7,8)65-61)31-46(54)48-33-45-42-16-10-13-19-50(42)58(3,4)52(45)35-56(48)63/h9-35H,1-8H3
InChIKeyNDTZQZUVMIEUQI-UHFFFAOYSA-N
MW842.89 g/mol
LogP14.46
Rot. Bonds4

About 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole

5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole (PubChem CID 66797840) has the molecular formula C60H51BN2O2 and a molecular weight of 842.89 g/mol. Its IUPAC name is 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole
PubChem CID66797840
Molecular FormulaC60H51BN2O2
Molecular Weight842.89 g/mol
Exact Mass842.40
IUPAC Name5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccc(B8OC(C)(C)C(C)(C)O8)cc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)cc5)cc4)c3cc21
InChIInChI=1S/C60H51BN2O2/c1-57(2)49-18-12-9-15-41(49)44-32-47-43-17-11-14-20-53(43)62(55(47)34-51(44)57)39-26-21-36(22-27-39)37-23-28-40(29-24-37)63-54-30-25-38(61-64-59(5,6)60(7,8)65-61)31-46(54)48-33-45-42-16-10-13-19-50(42)58(3,4)52(45)35-56(48)63/h9-35H,1-8H3
InChIKeyNDTZQZUVMIEUQI-UHFFFAOYSA-N
XLogP14.46
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.89
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole?
The IUPAC name of 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole (CID 66797840) is 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccc(B8OC(C)(C)C(C)(C)O8)cc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)cc5)cc4)c3cc21.
What is the InChIKey of 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole?
The InChIKey is NDTZQZUVMIEUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51BN2O2/c1-57(2)49-18-12-9-15-41(49)44-32-47-43-17-11-14-20-53(43)62(55(47)34-51(44)57)39-26-21-36(22-27-39)37-23-28-40(29-24-37)63-54-30-25-38(61-64-59(5,6)60(7,8)65-61)31-46(54)48-33-45-42-16-10-13-19-50(42)58(3,4)52(45)35-56(48)63/h9-35H,1-8H3.
What are the key properties of 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole?
5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole has a molecular weight of 842.89 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 66797840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).