7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane

C106H76BBrN4O2 — CID 158778029

IUPAC7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)OC1(C)C.c1ccc(-n2ccc3c2ccc2c4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C50H32N2.C30H27BO2.C26H17BrN2/c1-3-14-37(15-4-1)51-29-28-45-48(51)27-25-44-47-32-36(23-26-49(47)52(50(44)45)38-16-5-2-6-17-38)34-13-11-12-33(30-34)35-22-24-43-41-20-8-7-18-39(41)40-19-9-10-21-42(40)46(43)31-35;1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21;27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20/h1-32H;5-19H,1-4H3;1-17H
InChIKeyIQSJHQCCZLDHAW-UHFFFAOYSA-N
MW1528.52 g/mol
LogP28.12
Rot. Bonds8

About 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane

7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane (PubChem CID 158778029) has the molecular formula C106H76BBrN4O2 and a molecular weight of 1528.52 g/mol. Its IUPAC name is 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane
PubChem CID158778029
Molecular FormulaC106H76BBrN4O2
Molecular Weight1528.52 g/mol
Exact Mass1526.52
IUPAC Name7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)OC1(C)C.c1ccc(-n2ccc3c2ccc2c4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C50H32N2.C30H27BO2.C26H17BrN2/c1-3-14-37(15-4-1)51-29-28-45-48(51)27-25-44-47-32-36(23-26-49(47)52(50(44)45)38-16-5-2-6-17-38)34-13-11-12-33(30-34)35-22-24-43-41-20-8-7-18-39(41)40-19-9-10-21-42(40)46(43)31-35;1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21;27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20/h1-32H;5-19H,1-4H3;1-17H
InChIKeyIQSJHQCCZLDHAW-UHFFFAOYSA-N
XLogP28.12
TPSA38.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001528.52
LogP ≤ 528.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

7-Bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 90035406
3,10-Diphenyl-7-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062547
7-Bromo-10-naphthalen-2-yl-3-phenylpyrrolo[3,2-a]carbazole
CID 90062557
10-Phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 90062573
10-Naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 90062706
3,10-Diphenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90177112
5-Bromo-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene
CID 90223072
14-Bromo-3,8-bis(2,6-diphenyl-4-pyridinyl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
CID 90365400
4-[3-(3-Bromophenyl)-5-(11-quinolin-5-ylbenzo[a]carbazol-7-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 118289378
3,10-Diphenyl-7-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolo[3,2-a]carbazole
CID 123593756
6-Bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 123753597
6-bromo-3-[3-[3-[N-(6-bromo-9-phenylcarbazol-2-yl)-4-[6-(N-(6-bromo-9-phenylcarbazol-2-yl)anilino)naphthalen-2-yl]anilino]phenyl]phenyl]-9-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 129194634

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane?
The IUPAC name of 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane (CID 158778029) is 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane is Brc1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)OC1(C)C.c1ccc(-n2ccc3c2ccc2c4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane?
The InChIKey is IQSJHQCCZLDHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2.C30H27BO2.C26H17BrN2/c1-3-14-37(15-4-1)51-29-28-45-48(51)27-25-44-47-32-36(23-26-49(47)52(50(44)45)38-16-5-2-6-17-38)34-13-11-12-33(30-34)35-22-24-43-41-20-8-7-18-39(41)40-19-9-10-21-42(40)46(43)31-35;1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21;27-18-11-13-25-23(17-18)21-12-14-24-22(15-16-28(24)19-7-3-1-4-8-19)26(21)29(25)20-9-5-2-6-10-20/h1-32H;5-19H,1-4H3;1-17H.
What are the key properties of 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane?
7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane has a molecular weight of 1528.52 g/mol, XLogP of 28.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,10-diphenylpyrrolo[3,2-a]carbazole;3,10-diphenyl-7-(3-triphenylen-2-ylphenyl)pyrrolo[3,2-a]carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158778029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).