3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole

C49H34N2 — CID 164756654

IUPAC3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C49H34N2/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-29-31-47-43(33-38)44-34-40(30-32-48(44)50(47)39-23-11-4-12-24-39)51-45-27-15-13-25-41(45)42-26-14-16-28-46(42)51/h1-34H/i4D,11D,12D,23D,24D
InChIKeyXHMFQWQXWSUSCD-ZDRLNADSSA-N
MW655.86 g/mol
LogP12.26
Rot. Bonds6

About 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole

3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole (PubChem CID 164756654) has the molecular formula C49H34N2 and a molecular weight of 655.86 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole
PubChem CID164756654
Molecular FormulaC49H34N2
Molecular Weight655.86 g/mol
Exact Mass655.30
IUPAC Name3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C49H34N2/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-29-31-47-43(33-38)44-34-40(30-32-48(44)50(47)39-23-11-4-12-24-39)51-45-27-15-13-25-41(45)42-26-14-16-28-46(42)51/h1-34H/i4D,11D,12D,23D,24D
InChIKeyXHMFQWQXWSUSCD-ZDRLNADSSA-N
XLogP12.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.86
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
9-(4-tritylphenyl)carbazole
CID 162500226
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
(2,3,4,5,6-pentadeuteriophenyl)-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-diphenylsilane
CID 164756684
9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
CID 171458755
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
CID 58479630
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
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole?
The IUPAC name of 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole (CID 164756654) is 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole is [2H]c1c([2H])c([2H])c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].
What is the InChIKey of 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole?
The InChIKey is XHMFQWQXWSUSCD-ZDRLNADSSA-N. The full InChI is InChI=1S/C49H34N2/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-29-31-47-43(33-38)44-34-40(30-32-48(44)50(47)39-23-11-4-12-24-39)51-45-27-15-13-25-41(45)42-26-14-16-28-46(42)51/h1-34H/i4D,11D,12D,23D,24D.
What are the key properties of 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole?
3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole has a molecular weight of 655.86 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole is sourced from PubChem (CID 164756654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).