3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole

C41H28N2 — CID 156661500

IUPAC3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole
SMILES[2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C41H28N2/c1-27-14-19-32(20-15-27)42-38-12-6-4-10-34(38)36-25-30(17-22-40(36)42)31-18-23-41-37(26-31)35-11-5-7-13-39(35)43(41)33-21-16-28-8-2-3-9-29(28)24-33/h2-26H,1H3/i1D3
InChIKeyDVHIDWAJPZWHCY-FIBGUPNXSA-N
MW551.71 g/mol
LogP11.01
Rot. Bonds4

About 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole

3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole (PubChem CID 156661500) has the molecular formula C41H28N2 and a molecular weight of 551.71 g/mol. Its IUPAC name is 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole
PubChem CID156661500
Molecular FormulaC41H28N2
Molecular Weight551.71 g/mol
Exact Mass551.24
IUPAC Name3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole
SMILES[2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C41H28N2/c1-27-14-19-32(20-15-27)42-38-12-6-4-10-34(38)36-25-30(17-22-40(36)42)31-18-23-41-37(26-31)35-11-5-7-13-39(35)43(41)33-21-16-28-8-2-3-9-29(28)24-33/h2-26H,1H3/i1D3
InChIKeyDVHIDWAJPZWHCY-FIBGUPNXSA-N
XLogP11.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.71
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-deuterio-6-(6-deuterio-9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-deuterio-6-[6-deuterio-9-(4-phenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-naphthalen-2-yl-6-phenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-6,9-diphenylcarbazole
CID 157333681
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole?
The IUPAC name of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole (CID 156661500) is 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole.
What is the SMILES notation for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole?
The canonical SMILES for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole is [2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole?
The InChIKey is DVHIDWAJPZWHCY-FIBGUPNXSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-14-19-32(20-15-27)42-38-12-6-4-10-34(38)36-25-30(17-22-40(36)42)31-18-23-41-37(26-31)35-11-5-7-13-39(35)43(41)33-21-16-28-8-2-3-9-29(28)24-33/h2-26H,1H3/i1D3.
What are the key properties of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole?
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole has a molecular weight of 551.71 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(trideuteriomethyl)phenyl]carbazole is sourced from PubChem (CID 156661500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).