(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene

C31H29N3 — CID 137454500

IUPAC(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
SMILESCc1cc2c(cc1N1C3CCN(c4ccccc4C3)[C@@H]1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C31H29N3/c1-21-18-31-27(26-13-7-9-15-29(26)34(31)24-11-4-3-5-12-24)20-30(21)33-22(2)32-17-16-25(33)19-23-10-6-8-14-28(23)32/h3-15,18,20,22,25H,16-17,19H2,1-2H3/t22-,25?/m0/s1
InChIKeyYGYHFHFURRDPDB-XADRRFQNSA-N
MW443.59 g/mol
LogP7.08
Rot. Bonds2

About (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene

(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene (PubChem CID 137454500) has the molecular formula C31H29N3 and a molecular weight of 443.59 g/mol. Its IUPAC name is (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
PubChem CID137454500
Molecular FormulaC31H29N3
Molecular Weight443.59 g/mol
Exact Mass443.24
IUPAC Name(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
SMILESCc1cc2c(cc1N1C3CCN(c4ccccc4C3)[C@@H]1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C31H29N3/c1-21-18-31-27(26-13-7-9-15-29(26)34(31)24-11-4-3-5-12-24)20-30(21)33-22(2)32-17-16-25(33)19-23-10-6-8-14-28(23)32/h3-15,18,20,22,25H,16-17,19H2,1-2H3/t22-,25?/m0/s1
InChIKeyYGYHFHFURRDPDB-XADRRFQNSA-N
XLogP7.08
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole
CID 137454882
3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole
CID 162296119
3-[(3S)-1,3-dimethyl-2-azabicyclo[2.2.2]octan-2-yl]-2-methyl-9-phenylcarbazole
CID 137454364
3-[(2S)-2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl]-2-methyl-9-phenylcarbazole
CID 137454846
10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-21-amine
CID 166778824
2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole
CID 137454404
2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole
CID 162296054
2-methyl-3-[(2R)-2-methyl-1-azabicyclo[2.2.1]heptan-3-yl]-9-phenylcarbazole
CID 137454491
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
2-methyl-9-phenylcarbazole
CID 59552741
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594

Frequently Asked Questions

What is the IUPAC name of (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The IUPAC name of (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene (CID 137454500) is (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene.
What is the SMILES notation for (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The canonical SMILES for (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene is Cc1cc2c(cc1N1C3CCN(c4ccccc4C3)[C@@H]1C)c1ccccc1n2-c1ccccc1.
What is the InChIKey of (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
The InChIKey is YGYHFHFURRDPDB-XADRRFQNSA-N. The full InChI is InChI=1S/C31H29N3/c1-21-18-31-27(26-13-7-9-15-29(26)34(31)24-11-4-3-5-12-24)20-30(21)33-22(2)32-17-16-25(33)19-23-10-6-8-14-28(23)32/h3-15,18,20,22,25H,16-17,19H2,1-2H3/t22-,25?/m0/s1.
What are the key properties of (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene?
(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene has a molecular weight of 443.59 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 137454500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).