8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole

C39H33N3 — CID 171765135

IUPAC8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccc(C67CC8CC(CC(C8)C6)C7)cc5c5ncccc54)ccc32)cc1
InChIInChI=1S/C39H33N3/c1-2-7-29(8-3-1)41-34-10-5-4-9-31(34)32-21-30(13-15-35(32)41)42-36-14-12-28(20-33(36)38-37(42)11-6-16-40-38)39-22-25-17-26(23-39)19-27(18-25)24-39/h1-16,20-21,25-27H,17-19,22-24H2
InChIKeyHYTTUTIXCDMRGI-UHFFFAOYSA-N
MW543.71 g/mol
LogP9.74
Rot. Bonds3

About 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole

8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole (PubChem CID 171765135) has the molecular formula C39H33N3 and a molecular weight of 543.71 g/mol. Its IUPAC name is 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
PubChem CID171765135
Molecular FormulaC39H33N3
Molecular Weight543.71 g/mol
Exact Mass543.27
IUPAC Name8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccc(C67CC8CC(CC(C8)C6)C7)cc5c5ncccc54)ccc32)cc1
InChIInChI=1S/C39H33N3/c1-2-7-29(8-3-1)41-34-10-5-4-9-31(34)32-21-30(13-15-35(32)41)42-36-14-12-28(20-33(36)38-37(42)11-6-16-40-38)39-22-25-17-26(23-39)19-27(18-25)24-39/h1-16,20-21,25-27H,17-19,22-24H2
InChIKeyHYTTUTIXCDMRGI-UHFFFAOYSA-N
XLogP9.74
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole
CID 155374966
3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
CID 121422322
3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
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
9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole
CID 168808571
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
CID 139496528
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
3-(2-bromo-2-adamantyl)-9-phenylcarbazole
CID 155642852
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633

Frequently Asked Questions

What is the IUPAC name of 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The IUPAC name of 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole (CID 171765135) is 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The canonical SMILES for 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(C67CC8CC(CC(C8)C6)C7)cc5c5ncccc54)ccc32)cc1.
What is the InChIKey of 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The InChIKey is HYTTUTIXCDMRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N3/c1-2-7-29(8-3-1)41-34-10-5-4-9-31(34)32-21-30(13-15-35(32)41)42-36-14-12-28(20-33(36)38-37(42)11-6-16-40-38)39-22-25-17-26(23-39)19-27(18-25)24-39/h1-16,20-21,25-27H,17-19,22-24H2.
What are the key properties of 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole has a molecular weight of 543.71 g/mol, XLogP of 9.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 171765135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).