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

C45H28N4 — CID 167031894

IUPAC7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)c4ccccc34)n2)cc1
InChIInChI=1S/C45H28N4/c1-2-14-31(15-3-1)43-46-44(33-23-22-29-12-4-5-16-32(29)28-33)48-45(47-43)37-25-27-40(36-19-9-8-18-35(36)37)49-39-21-11-10-20-38(39)42-34-17-7-6-13-30(34)24-26-41(42)49/h1-28H
InChIKeyOKIBOTNVSMSJOR-UHFFFAOYSA-N
MW624.75 g/mol
LogP11.43
Rot. Bonds4

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

7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole (PubChem CID 167031894) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
PubChem CID167031894
Molecular FormulaC45H28N4
Molecular Weight624.75 g/mol
Exact Mass624.23
IUPAC Name7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)c4ccccc34)n2)cc1
InChIInChI=1S/C45H28N4/c1-2-14-31(15-3-1)43-46-44(33-23-22-29-12-4-5-16-32(29)28-33)48-45(47-43)37-25-27-40(36-19-9-8-18-35(36)37)49-39-21-11-10-20-38(39)42-34-17-7-6-13-30(34)24-26-41(42)49/h1-28H
InChIKeyOKIBOTNVSMSJOR-UHFFFAOYSA-N
XLogP11.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenylbenzo[c]carbazole
CID 139321649
10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
CID 167031903
14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 158953256
9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole
CID 162150262
7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole
CID 166916847
7-[2-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 167032390
16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-(4-phenylphenyl)-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;16-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-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 159700434
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 164781358
9-benzo[c]carbazol-7-yl-5-[4-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155477237
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043
7-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
CID 167031981
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155450925

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole?
The IUPAC name of 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole (CID 167031894) is 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)c4ccccc34)n2)cc1.
What is the InChIKey of 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole?
The InChIKey is OKIBOTNVSMSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c1-2-14-31(15-3-1)43-46-44(33-23-22-29-12-4-5-16-32(29)28-33)48-45(47-43)37-25-27-40(36-19-9-8-18-35(36)37)49-39-21-11-10-20-38(39)42-34-17-7-6-13-30(34)24-26-41(42)49/h1-28H.
What are the key properties of 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole?
7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole has a molecular weight of 624.75 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole is sourced from PubChem (CID 167031894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).