5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

C33H24N4 — CID 121353979

IUPAC5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c(-c3ccncc3)nc3cccc1c32
InChIInChI=1S/C33H24N4/c1-33(2)25-10-7-11-27-31(25)37(32(35-27)21-16-18-34-19-17-21)30-15-14-22(20-26(30)33)36-28-12-5-3-8-23(28)24-9-4-6-13-29(24)36/h3-20H,1-2H3
InChIKeyVLNJASOMOSERMH-UHFFFAOYSA-N
MW476.58 g/mol
LogP7.82
Rot. Bonds2

About 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (PubChem CID 121353979) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

Molecular Properties

Compound Name5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
PubChem CID121353979
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC Name5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c(-c3ccncc3)nc3cccc1c32
InChIInChI=1S/C33H24N4/c1-33(2)25-10-7-11-27-31(25)37(32(35-27)21-16-18-34-19-17-21)30-15-14-22(20-26(30)33)36-28-12-5-3-8-23(28)24-9-4-6-13-29(24)36/h3-20H,1-2H3
InChIKeyVLNJASOMOSERMH-UHFFFAOYSA-N
XLogP7.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene with MolForge

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Related Compounds

4-carbazol-9-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-phenyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;5-dibenzothiophen-4-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 158685922
8,8-dimethyl-5-(9-phenylcarbazol-3-yl)-15-pyrimidin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 140703635
5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 140703699
8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 140703691
9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 159418146
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
14,14-dimethyl-10-phenyl-21-[4-(1-phenylbenzimidazol-2-yl)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 66805197
15-phenyl-4'-(9-phenylcarbazol-3-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262721
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 159278488
2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 142328728
8,8-dimethyl-5-(2-phenylphenyl)-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 140703706

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?
The IUPAC name of 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (CID 121353979) is 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.
What is the SMILES notation for 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?
The canonical SMILES for 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-n2c(-c3ccncc3)nc3cccc1c32.
What is the InChIKey of 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?
The InChIKey is VLNJASOMOSERMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4/c1-33(2)25-10-7-11-27-31(25)37(32(35-27)21-16-18-34-19-17-21)30-15-14-22(20-26(30)33)36-28-12-5-3-8-23(28)24-9-4-6-13-29(24)36/h3-20H,1-2H3.
What are the key properties of 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?
5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene has a molecular weight of 476.58 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is sourced from PubChem (CID 121353979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).