3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole

C36H33N — CID 121422322

IUPAC3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
SMILESC=Cc1ccc(C23CC4CC(C2)CC(c2ccc5c(c2)c2ccccc2n5-c2ccccc2)(C4)C3)cc1
InChIInChI=1S/C36H33N/c1-2-25-12-14-28(15-13-25)35-20-26-18-27(21-35)23-36(22-26,24-35)29-16-17-34-32(19-29)31-10-6-7-11-33(31)37(34)30-8-4-3-5-9-30/h2-17,19,26-27H,1,18,20-24H2
InChIKeyXTWXVNOICCTQGK-UHFFFAOYSA-N
MW479.67 g/mol
LogP9.22
Rot. Bonds4

About 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole

3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole (PubChem CID 121422322) has the molecular formula C36H33N and a molecular weight of 479.67 g/mol. Its IUPAC name is 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
PubChem CID121422322
Molecular FormulaC36H33N
Molecular Weight479.67 g/mol
Exact Mass479.26
IUPAC Name3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
SMILESC=Cc1ccc(C23CC4CC(C2)CC(c2ccc5c(c2)c2ccccc2n5-c2ccccc2)(C4)C3)cc1
InChIInChI=1S/C36H33N/c1-2-25-12-14-28(15-13-25)35-20-26-18-27(21-35)23-36(22-26,24-35)29-16-17-34-32(19-29)31-10-6-7-11-33(31)37(34)30-8-4-3-5-9-30/h2-17,19,26-27H,1,18,20-24H2
InChIKeyXTWXVNOICCTQGK-UHFFFAOYSA-N
XLogP9.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 162083574
3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole
CID 155374966
3-(2-bromo-2-adamantyl)-9-phenylcarbazole
CID 155642852
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 171765135
1-[3,5-bis(ethenyl)phenyl]-3-[4-[3-[3,5-bis(ethenyl)phenyl]-1-adamantyl]phenyl]adamantane
CID 91277770
9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 102429669
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole
CID 168808571

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole (CID 121422322) is 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole is C=Cc1ccc(C23CC4CC(C2)CC(c2ccc5c(c2)c2ccccc2n5-c2ccccc2)(C4)C3)cc1.
What is the InChIKey of 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole?
The InChIKey is XTWXVNOICCTQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N/c1-2-25-12-14-28(15-13-25)35-20-26-18-27(21-35)23-36(22-26,24-35)29-16-17-34-32(19-29)31-10-6-7-11-33(31)37(34)30-8-4-3-5-9-30/h2-17,19,26-27H,1,18,20-24H2.
What are the key properties of 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole?
3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole has a molecular weight of 479.67 g/mol, XLogP of 9.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole is sourced from PubChem (CID 121422322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).