14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene

C43H29N5 — CID 70808514

IUPAC14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
SMILESC1=CC2c3ccccc3-c3ccccc3N(c3ncnc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)n3)C2C=C1
InChIInChI=1S/C43H29N5/c1-2-13-30(14-3-1)47-39-24-23-29(26-36(39)41-31-15-5-4-12-28(31)22-25-40(41)47)42-44-27-45-43(46-42)48-37-20-10-8-18-34(37)32-16-6-7-17-33(32)35-19-9-11-21-38(35)48/h1-27,34,37H
InChIKeyDJNLLHDUORJUEJ-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.19
Rot. Bonds3

About 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene

14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene (PubChem CID 70808514) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene.

Molecular Properties

Compound Name14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
PubChem CID70808514
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
SMILESC1=CC2c3ccccc3-c3ccccc3N(c3ncnc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)n3)C2C=C1
InChIInChI=1S/C43H29N5/c1-2-13-30(14-3-1)47-39-24-23-29(26-36(39)41-31-15-5-4-12-28(31)22-25-40(41)47)42-44-27-45-43(46-42)48-37-20-10-8-18-34(37)32-16-6-7-17-33(32)35-19-9-11-21-38(35)48/h1-27,34,37H
InChIKeyDJNLLHDUORJUEJ-UHFFFAOYSA-N
XLogP10.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene with MolForge

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Related Compounds

14-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)pyrimidin-4-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
CID 70808355
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 138743723
7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 137420887
4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134187059
1-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 166796406
7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 155485428
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997

Frequently Asked Questions

What is the IUPAC name of 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene?
The IUPAC name of 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene (CID 70808514) is 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene.
What is the SMILES notation for 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene?
The canonical SMILES for 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene is C1=CC2c3ccccc3-c3ccccc3N(c3ncnc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)n3)C2C=C1.
What is the InChIKey of 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene?
The InChIKey is DJNLLHDUORJUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-2-13-30(14-3-1)47-39-24-23-29(26-36(39)41-31-15-5-4-12-28(31)22-25-40(41)47)42-44-27-45-43(46-42)48-37-20-10-8-18-34(37)32-16-6-7-17-33(32)35-19-9-11-21-38(35)48/h1-27,34,37H.
What are the key properties of 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene?
14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene has a molecular weight of 615.74 g/mol, XLogP of 10.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene is sourced from PubChem (CID 70808514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).