5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole

C127H80N18 — CID 158346747

IUPAC5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole
SMILESC=C1c2ccccc2N(c2ccc(-n3nc4ccc5ccccc5c4n3)c3ccccc23)c2ccccc21.c1ccc2c(c1)ccc1nn(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)nc12.c1ccc2c(c1)ccc1nn(-c3ccc(-n4c5ccccc5n5c6ccccc6nc45)c4ccccc34)nc12.c1ccc2c(c1)ccc1nn(-c3ccc(-n4ccc5ccccc54)c4ccccc34)nc12
InChIInChI=1S/C34H22N4.C33H20N6.C32H20N4.C28H18N4/c1-22-24-11-6-8-16-30(24)37(31-17-9-7-12-25(22)31)32-20-21-33(28-15-5-4-14-27(28)32)38-35-29-19-18-23-10-2-3-13-26(23)34(29)36-38;1-2-10-22-21(9-1)17-18-26-32(22)36-39(35-26)28-20-19-27(23-11-3-4-12-24(23)28)37-30-15-7-8-16-31(30)38-29-14-6-5-13-25(29)34-33(37)38;1-2-10-22-21(9-1)17-18-27-32(22)34-36(33-27)31-20-19-30(25-11-3-4-14-26(25)31)35-28-15-7-5-12-23(28)24-13-6-8-16-29(24)35;1-3-9-21-19(7-1)13-14-24-28(21)30-32(29-24)27-16-15-26(22-10-4-5-11-23(22)27)31-18-17-20-8-2-6-12-25(20)31/h2-21H,1H2;1-20H;1-20H;1-18H
InChIKeyGRVANGHJPYWCHP-UHFFFAOYSA-N
MW1858.16 g/mol
LogP30.54
Rot. Bonds8

About 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole

5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole (PubChem CID 158346747) has the molecular formula C127H80N18 and a molecular weight of 1858.16 g/mol. Its IUPAC name is 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole.

Molecular Properties

Compound Name5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole
PubChem CID158346747
Molecular FormulaC127H80N18
Molecular Weight1858.16 g/mol
Exact Mass1856.68
IUPAC Name5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole
SMILESC=C1c2ccccc2N(c2ccc(-n3nc4ccc5ccccc5c4n3)c3ccccc23)c2ccccc21.c1ccc2c(c1)ccc1nn(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)nc12.c1ccc2c(c1)ccc1nn(-c3ccc(-n4c5ccccc5n5c6ccccc6nc45)c4ccccc34)nc12.c1ccc2c(c1)ccc1nn(-c3ccc(-n4ccc5ccccc54)c4ccccc34)nc12
InChIInChI=1S/C34H22N4.C33H20N6.C32H20N4.C28H18N4/c1-22-24-11-6-8-16-30(24)37(31-17-9-7-12-25(22)31)32-20-21-33(28-15-5-4-14-27(28)32)38-35-29-19-18-23-10-2-3-13-26(23)34(29)36-38;1-2-10-22-21(9-1)17-18-26-32(22)36-39(35-26)28-20-19-27(23-11-3-4-12-24(23)28)37-30-15-7-8-16-31(30)38-29-14-6-5-13-25(29)34-33(37)38;1-2-10-22-21(9-1)17-18-27-32(22)34-36(33-27)31-20-19-30(25-11-3-4-14-26(25)31)35-28-15-7-5-12-23(28)24-13-6-8-16-29(24)35;1-3-9-21-19(7-1)13-14-24-28(21)30-32(29-24)27-16-15-26(22-10-4-5-11-23(22)27)31-18-17-20-8-2-6-12-25(20)31/h2-21H,1H2;1-20H;1-20H;1-18H
InChIKeyGRVANGHJPYWCHP-UHFFFAOYSA-N
XLogP30.54
TPSA158.17 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.16
LogP ≤ 530.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole with MolForge

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Related Compounds

5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;N-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-4-methyl-N-(4-methylphenyl)naphthalen-1-amine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole;methane
CID 162184227
2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole
CID 118429571
9-[4-(benzotriazol-2-yl)naphthalen-1-yl]carbazole
CID 118429570
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane
CID 158374242
5-(2-benzo[e]benzotriazol-2-ylphenyl)-10-phenylphenazine
CID 118429493
2-[6-[2-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-carbazol-9-ylpyrimidin-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazol-4-yl]-6-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 146625799
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 168811214
5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082
5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 146626433
2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 168811192
2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 168811268

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole?
The IUPAC name of 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole (CID 158346747) is 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole.
What is the SMILES notation for 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole?
The canonical SMILES for 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole is C=C1c2ccccc2N(c2ccc(-n3nc4ccc5ccccc5c4n3)c3ccccc23)c2ccccc21.c1ccc2c(c1)ccc1nn(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)nc12.c1ccc2c(c1)ccc1nn(-c3ccc(-n4c5ccccc5n5c6ccccc6nc45)c4ccccc34)nc12.c1ccc2c(c1)ccc1nn(-c3ccc(-n4ccc5ccccc54)c4ccccc34)nc12.
What is the InChIKey of 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole?
The InChIKey is GRVANGHJPYWCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4.C33H20N6.C32H20N4.C28H18N4/c1-22-24-11-6-8-16-30(24)37(31-17-9-7-12-25(22)31)32-20-21-33(28-15-5-4-14-27(28)32)38-35-29-19-18-23-10-2-3-13-26(23)34(29)36-38;1-2-10-22-21(9-1)17-18-26-32(22)36-39(35-26)28-20-19-27(23-11-3-4-12-24(23)28)37-30-15-7-8-16-31(30)38-29-14-6-5-13-25(29)34-33(37)38;1-2-10-22-21(9-1)17-18-27-32(22)34-36(33-27)31-20-19-30(25-11-3-4-14-26(25)31)35-28-15-7-5-12-23(28)24-13-6-8-16-29(24)35;1-3-9-21-19(7-1)13-14-24-28(21)30-32(29-24)27-16-15-26(22-10-4-5-11-23(22)27)31-18-17-20-8-2-6-12-25(20)31/h2-21H,1H2;1-20H;1-20H;1-18H.
What are the key properties of 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole?
5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole has a molecular weight of 1858.16 g/mol, XLogP of 30.54, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)benzimidazolo[1,2-a]benzimidazole;10-(4-benzo[e]benzotriazol-2-ylnaphthalen-1-yl)-9-methylideneacridine;2-(4-carbazol-9-ylnaphthalen-1-yl)benzo[e]benzotriazole;2-(4-indol-1-ylnaphthalen-1-yl)benzo[e]benzotriazole is sourced from PubChem (CID 158346747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).