5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole

C50H31BrN2 — CID 154593558

IUPAC5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4ccccc4c(-c4cccc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4Br)cc32)c([2H])c1[2H]
InChIInChI=1S/C50H31BrN2/c51-50-38(42-30-46-48(36-22-9-7-20-34(36)42)40-24-11-13-28-44(40)52(46)32-16-3-1-4-17-32)26-15-27-39(50)43-31-47-49(37-23-10-8-21-35(37)43)41-25-12-14-29-45(41)53(47)33-18-5-2-6-19-33/h1-31H/i1D,2D,3D,4D,5D,6D,16D,17D,18D,19D
InChIKeyXZYVLJSTCQIWFU-PSNUTNEVSA-N
MW749.78 g/mol
LogP14.28
Rot. Bonds4

About 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole

5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole (PubChem CID 154593558) has the molecular formula C50H31BrN2 and a molecular weight of 749.78 g/mol. Its IUPAC name is 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole.

Molecular Properties

Compound Name5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole
PubChem CID154593558
Molecular FormulaC50H31BrN2
Molecular Weight749.78 g/mol
Exact Mass748.23
IUPAC Name5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4ccccc4c(-c4cccc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4Br)cc32)c([2H])c1[2H]
InChIInChI=1S/C50H31BrN2/c51-50-38(42-30-46-48(36-22-9-7-20-34(36)42)40-24-11-13-28-44(40)52(46)32-16-3-1-4-17-32)26-15-27-39(50)43-31-47-49(37-23-10-8-21-35(37)43)41-25-12-14-29-45(41)53(47)33-18-5-2-6-19-33/h1-31H/i1D,2D,3D,4D,5D,6D,16D,17D,18D,19D
InChIKeyXZYVLJSTCQIWFU-PSNUTNEVSA-N
XLogP14.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.78
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole with MolForge

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Related Compounds

9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
CID 171458755
9,14-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164847689
3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164756668
16-(4-naphthalen-1-ylphenyl)-12-(2,3,4,5,6-pentadeuteriophenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 166022158
17-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170532652
[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 164756610
5-(2,3,4,5,6-pentadeuteriophenyl)-12H-indolo[3,2-c]carbazole
CID 142619140
2-(2-chloroquinazolin-4-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole
CID 139327726
2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 171458093
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-4-yl]-diphenylsilane
CID 164756562
9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole
CID 171458084
11,23-bis(2,3,4,5,6-pentadeuteriophenyl)-20-thia-11-aza-1-boraheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2,4(12),5,7,9,13,15(27),16,18,21(26),22,24-dodecaene
CID 164930479

Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole?
The IUPAC name of 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole (CID 154593558) is 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole.
What is the SMILES notation for 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole?
The canonical SMILES for 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3c4ccccc4c(-c4cccc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c4Br)cc32)c([2H])c1[2H].
What is the InChIKey of 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole?
The InChIKey is XZYVLJSTCQIWFU-PSNUTNEVSA-N. The full InChI is InChI=1S/C50H31BrN2/c51-50-38(42-30-46-48(36-22-9-7-20-34(36)42)40-24-11-13-28-44(40)52(46)32-16-3-1-4-17-32)26-15-27-39(50)43-31-47-49(37-23-10-8-21-35(37)43)41-25-12-14-29-45(41)53(47)33-18-5-2-6-19-33/h1-31H/i1D,2D,3D,4D,5D,6D,16D,17D,18D,19D.
What are the key properties of 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole?
5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole has a molecular weight of 749.78 g/mol, XLogP of 14.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-3-[7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazol-5-yl]phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)benzo[c]carbazole is sourced from PubChem (CID 154593558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).