2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole

C32H30N2 — CID 162296054

IUPAC2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole
SMILESCc1cc2c(cc1N1C(C)C3(C)CC1(C)c1ccccc13)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C32H30N2/c1-21-18-30-25(24-14-8-11-17-28(24)33(30)23-12-6-5-7-13-23)19-29(21)34-22(2)31(3)20-32(34,4)27-16-10-9-15-26(27)31/h5-19,22H,20H2,1-4H3
InChIKeyWAZBAVGUSIWLIC-UHFFFAOYSA-N
MW442.61 g/mol
LogP7.88
Rot. Bonds2

About 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole

2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole (PubChem CID 162296054) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole.

Molecular Properties

Compound Name2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole
PubChem CID162296054
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole
SMILESCc1cc2c(cc1N1C(C)C3(C)CC1(C)c1ccccc13)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C32H30N2/c1-21-18-30-25(24-14-8-11-17-28(24)33(30)23-12-6-5-7-13-23)19-29(21)34-22(2)31(3)20-32(34,4)27-16-10-9-15-26(27)31/h5-19,22H,20H2,1-4H3
InChIKeyWAZBAVGUSIWLIC-UHFFFAOYSA-N
XLogP7.88
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole
CID 137454404
3-[(2S)-2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl]-2-methyl-9-phenylcarbazole
CID 137454846
3-[(3S)-1,3-dimethyl-2-azabicyclo[2.2.2]octan-2-yl]-2-methyl-9-phenylcarbazole
CID 137454364
3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole
CID 162296119
3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole
CID 137454882
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
14,14,21-trimethyl-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146580601
1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole
CID 118603153
(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
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
16-[2,5-dimethyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163572455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole?
The IUPAC name of 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) is 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole.
What is the SMILES notation for 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole?
The canonical SMILES for 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole is Cc1cc2c(cc1N1C(C)C3(C)CC1(C)c1ccccc13)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole?
The InChIKey is WAZBAVGUSIWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2/c1-21-18-30-25(24-14-8-11-17-28(24)33(30)23-12-6-5-7-13-23)19-29(21)34-22(2)31(3)20-32(34,4)27-16-10-9-15-26(27)31/h5-19,22H,20H2,1-4H3.
What are the key properties of 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole?
2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole has a molecular weight of 442.61 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole is sourced from PubChem (CID 162296054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).