4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C33H24N2 — CID 122537699

IUPAC4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESCCn1c2ccccc2c2cc(Cc3ccc4c5cccc6c7ccccc7n(c4c3)c65)ccc21
InChIInChI=1S/C33H24N2/c1-2-34-29-12-5-3-9-24(29)28-19-21(15-17-30(28)34)18-22-14-16-25-27-11-7-10-26-23-8-4-6-13-31(23)35(33(26)27)32(25)20-22/h3-17,19-20H,2,18H2,1H3
InChIKeyBZKCTNOQEOOKPP-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.56
Rot. Bonds3

About 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 122537699) has the molecular formula C33H24N2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID122537699
Molecular FormulaC33H24N2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESCCn1c2ccccc2c2cc(Cc3ccc4c5cccc6c7ccccc7n(c4c3)c65)ccc21
InChIInChI=1S/C33H24N2/c1-2-34-29-12-5-3-9-24(29)28-19-21(15-17-30(28)34)18-22-14-16-25-27-11-7-10-26-23-8-4-6-13-31(23)35(33(26)27)32(25)20-22/h3-17,19-20H,2,18H2,1H3
InChIKeyBZKCTNOQEOOKPP-UHFFFAOYSA-N
XLogP8.56
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868483
9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
CID 153374745
10-[(9-ethylcarbazol-3-yl)methyl]imidazo[1,2-f]phenanthridine
CID 59358485
9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
CID 91058956
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 122594993
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
5-(9-benzylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 170946861
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
5,12-dimethyl-9-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
CID 134194420
6-benzyl-1,6-diazaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene
CID 142323947

Frequently Asked Questions

What is the IUPAC name of 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 122537699) is 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is CCn1c2ccccc2c2cc(Cc3ccc4c5cccc6c7ccccc7n(c4c3)c65)ccc21.
What is the InChIKey of 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is BZKCTNOQEOOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-2-34-29-12-5-3-9-24(29)28-19-21(15-17-30(28)34)18-22-14-16-25-27-11-7-10-26-23-8-4-6-13-31(23)35(33(26)27)32(25)20-22/h3-17,19-20H,2,18H2,1H3.
What are the key properties of 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 448.57 g/mol, XLogP of 8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 122537699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).