9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole

C36H34BNO2 — CID 144830812

IUPAC9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole
SMILESCC1(C)OB(c2ccc3c4c(n(-c5ccccc5)c3c2)=CCC(c2ccc(-c3ccccc3)cc2)C=4)OC1(C)C
InChIInChI=1S/C36H34BNO2/c1-35(2)36(3,4)40-37(39-35)29-20-21-31-32-23-28(27-17-15-26(16-18-27)25-11-7-5-8-12-25)19-22-33(32)38(34(31)24-29)30-13-9-6-10-14-30/h5-18,20-24,28H,19H2,1-4H3
InChIKeyKENNJMVDMBUPPR-UHFFFAOYSA-N
MW523.49 g/mol
LogP6.35
Rot. Bonds4

About 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole

9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole (PubChem CID 144830812) has the molecular formula C36H34BNO2 and a molecular weight of 523.49 g/mol. Its IUPAC name is 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole.

Molecular Properties

Compound Name9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole
PubChem CID144830812
Molecular FormulaC36H34BNO2
Molecular Weight523.49 g/mol
Exact Mass523.27
IUPAC Name9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole
SMILESCC1(C)OB(c2ccc3c4c(n(-c5ccccc5)c3c2)=CCC(c2ccc(-c3ccccc3)cc2)C=4)OC1(C)C
InChIInChI=1S/C36H34BNO2/c1-35(2)36(3,4)40-37(39-35)29-20-21-31-32-23-28(27-17-15-26(16-18-27)25-11-7-5-8-12-25)19-22-33(32)38(34(31)24-29)30-13-9-6-10-14-30/h5-18,20-24,28H,19H2,1-4H3
InChIKeyKENNJMVDMBUPPR-UHFFFAOYSA-N
XLogP6.35
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.49
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9-phenyl-6,7-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 156721201
1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
CID 174277781
5,7-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5a,12a-dihydroindolo[2,3-b]carbazole
CID 166009382
9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole
CID 144831031
1-bromo-3-iodobenzene;2-(3-bromophenyl)-9-phenylcarbazole;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 159037607
7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 140743556
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 145257430
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane
CID 158740081
N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142710964
10-phenyl-18-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 140808006
1,5-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole
CID 154596663

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole?
The IUPAC name of 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole (CID 144830812) is 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole.
What is the SMILES notation for 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole?
The canonical SMILES for 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole is CC1(C)OB(c2ccc3c4c(n(-c5ccccc5)c3c2)=CCC(c2ccc(-c3ccccc3)cc2)C=4)OC1(C)C.
What is the InChIKey of 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole?
The InChIKey is KENNJMVDMBUPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34BNO2/c1-35(2)36(3,4)40-37(39-35)29-20-21-31-32-23-28(27-17-15-26(16-18-27)25-11-7-5-8-12-25)19-22-33(32)38(34(31)24-29)30-13-9-6-10-14-30/h5-18,20-24,28H,19H2,1-4H3.
What are the key properties of 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole?
9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole has a molecular weight of 523.49 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole is sourced from PubChem (CID 144830812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).