20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene

C44H33N5 — CID 121263623

IUPAC20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene
SMILESCC1CNC=C(n2c3ccccc3c3cc(-c4cc5c6c(c4)c4ccccc4n6C4=C(NC6C=CC=CC6=N4)c4ccccc4-5)ccc32)C1
InChIInChI=1S/C44H33N5/c1-26-20-29(25-45-24-26)48-39-16-8-4-11-31(39)34-21-27(18-19-41(34)48)28-22-35-30-10-2-3-13-33(30)42-44(47-38-15-7-6-14-37(38)46-42)49-40-17-9-5-12-32(40)36(23-28)43(35)49/h2-19,21-23,25-26,37,45-46H,20,24H2,1H3
InChIKeyIOPRXHWVPPCUKE-UHFFFAOYSA-N
MW631.78 g/mol
LogP9.80
Rot. Bonds2

About 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene

20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene (PubChem CID 121263623) has the molecular formula C44H33N5 and a molecular weight of 631.78 g/mol. Its IUPAC name is 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene.

Molecular Properties

Compound Name20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene
PubChem CID121263623
Molecular FormulaC44H33N5
Molecular Weight631.78 g/mol
Exact Mass631.27
IUPAC Name20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene
SMILESCC1CNC=C(n2c3ccccc3c3cc(-c4cc5c6c(c4)c4ccccc4n6C4=C(NC6C=CC=CC6=N4)c4ccccc4-5)ccc32)C1
InChIInChI=1S/C44H33N5/c1-26-20-29(25-45-24-26)48-39-16-8-4-11-31(39)34-21-27(18-19-41(34)48)28-22-35-30-10-2-3-13-33(30)42-44(47-38-15-7-6-14-37(38)46-42)49-40-17-9-5-12-32(40)36(23-28)43(35)49/h2-19,21-23,25-26,37,45-46H,20,24H2,1H3
InChIKeyIOPRXHWVPPCUKE-UHFFFAOYSA-N
XLogP9.80
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.78
LogP ≤ 59.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene with MolForge

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Related Compounds

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9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
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10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
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5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole
CID 90215744
10-phenyl-23-[4-[9-[3-(4-phenylphenyl)phenyl]phenanthren-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 145085570
3-[3-(4,4a-dihydroquinoxalin-2-yl)phenyl]-9-(3-dibenzofuran-3-ylphenyl)carbazole
CID 159196698
23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 121446881
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
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N,N-diphenyl-4-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)carbazol-3-yl]aniline
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20-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
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3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
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16-(9,9-dimethylfluoren-2-yl)-27-thia-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,9,13(18),14,16,19(30),20(28),21,23,25-tridecaene
CID 118615798

Frequently Asked Questions

What is the IUPAC name of 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene?
The IUPAC name of 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene (CID 121263623) is 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene.
What is the SMILES notation for 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene?
The canonical SMILES for 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene is CC1CNC=C(n2c3ccccc3c3cc(-c4cc5c6c(c4)c4ccccc4n6C4=C(NC6C=CC=CC6=N4)c4ccccc4-5)ccc32)C1.
What is the InChIKey of 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene?
The InChIKey is IOPRXHWVPPCUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N5/c1-26-20-29(25-45-24-26)48-39-16-8-4-11-31(39)34-21-27(18-19-41(34)48)28-22-35-30-10-2-3-13-33(30)42-44(47-38-15-7-6-14-37(38)46-42)49-40-17-9-5-12-32(40)36(23-28)43(35)49/h2-19,21-23,25-26,37,45-46H,20,24H2,1H3.
What are the key properties of 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene?
20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene has a molecular weight of 631.78 g/mol, XLogP of 9.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[9-(3-methyl-1,2,3,4-tetrahydropyridin-5-yl)carbazol-3-yl]-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,7,12,14,16,18,20,22(29),23,25,27-tridecaene is sourced from PubChem (CID 121263623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).