7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole

C39H24N4 — CID 166919043

IUPAC7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c6ccccc6ccc54)n3)ccc2c1
InChIInChI=1S/C39H24N4/c1-3-12-28-23-30(19-17-25(28)9-1)37-40-38(31-20-18-26-10-2-4-13-29(26)24-31)42-39(41-37)43-34-16-8-7-15-33(34)36-32-14-6-5-11-27(32)21-22-35(36)43/h1-24H
InChIKeyRLMQWDHXRBGNJZ-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.76
Rot. Bonds3

About 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole

7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole (PubChem CID 166919043) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
PubChem CID166919043
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c6ccccc6ccc54)n3)ccc2c1
InChIInChI=1S/C39H24N4/c1-3-12-28-23-30(19-17-25(28)9-1)37-40-38(31-20-18-26-10-2-4-13-29(26)24-31)42-39(41-37)43-34-16-8-7-15-33(34)36-32-14-6-5-11-27(32)21-22-35(36)43/h1-24H
InChIKeyRLMQWDHXRBGNJZ-UHFFFAOYSA-N
XLogP9.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 58029103
12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916791
9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 59194526
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;9-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159765258
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913725
7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 167031894
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole
CID 129074476
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylbenzo[c]carbazole
CID 118133197
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 164781358
7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
CID 167031981
22-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597974

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The IUPAC name of 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole (CID 166919043) is 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c6ccccc6ccc54)n3)ccc2c1.
What is the InChIKey of 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The InChIKey is RLMQWDHXRBGNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-3-12-28-23-30(19-17-25(28)9-1)37-40-38(31-20-18-26-10-2-4-13-29(26)24-31)42-39(41-37)43-34-16-8-7-15-33(34)36-32-14-6-5-11-27(32)21-22-35(36)43/h1-24H.
What are the key properties of 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole?
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole has a molecular weight of 548.65 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 166919043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).