6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline

C127H74N10 — CID 160698350

IUPAC6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline
SMILES[C-]#[N+]c1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4nc5ccccc5c5c4ncc4ccccc45)c4ccccc34)ccc1C2c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4nc5ccccc5c5c4ncc4ccccc45)c4ccccc34)n2)cc1.c1ccc2c(c1)cnc1c(-c3ccc4ccc5cccc6ccc3c4c56)nc3ccccc3c12
InChIInChI=1S/C50H29N3.C45H27N5.C32H18N2/c1-51-33-24-26-40-43(28-33)42-27-31(23-25-39(42)45(40)30-13-3-2-4-14-30)46-35-17-7-9-19-37(35)48(38-20-10-8-18-36(38)46)50-49-47(41-21-11-12-22-44(41)53-50)34-16-6-5-15-32(34)29-52-49;1-3-15-28(16-4-1)43-48-44(29-17-5-2-6-18-29)50-45(49-43)40-34-23-11-9-21-32(34)39(33-22-10-12-24-35(33)40)42-41-38(36-25-13-14-26-37(36)47-42)31-20-8-7-19-30(31)27-46-41;1-2-9-23-22(6-1)18-33-32-30(23)26-10-3-4-11-27(26)34-31(32)25-17-15-21-13-12-19-7-5-8-20-14-16-24(25)29(21)28(19)20/h2-29,45H;1-27H;1-18H
InChIKeyRQHAEKXPYUSVKS-UHFFFAOYSA-N
MW1740.06 g/mol
LogP32.88
Rot. Bonds8

About 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline

6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline (PubChem CID 160698350) has the molecular formula C127H74N10 and a molecular weight of 1740.06 g/mol. Its IUPAC name is 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline.

Molecular Properties

Compound Name6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline
PubChem CID160698350
Molecular FormulaC127H74N10
Molecular Weight1740.06 g/mol
Exact Mass1738.61
IUPAC Name6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline
SMILES[C-]#[N+]c1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4nc5ccccc5c5c4ncc4ccccc45)c4ccccc34)ccc1C2c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4nc5ccccc5c5c4ncc4ccccc45)c4ccccc34)n2)cc1.c1ccc2c(c1)cnc1c(-c3ccc4ccc5cccc6ccc3c4c56)nc3ccccc3c12
InChIInChI=1S/C50H29N3.C45H27N5.C32H18N2/c1-51-33-24-26-40-43(28-33)42-27-31(23-25-39(42)45(40)30-13-3-2-4-14-30)46-35-17-7-9-19-37(35)48(38-20-10-8-18-36(38)46)50-49-47(41-21-11-12-22-44(41)53-50)34-16-6-5-15-32(34)29-52-49;1-3-15-28(16-4-1)43-48-44(29-17-5-2-6-18-29)50-45(49-43)40-34-23-11-9-21-32(34)39(33-22-10-12-24-35(33)40)42-41-38(36-25-13-14-26-37(36)47-42)31-20-8-7-19-30(31)27-46-41;1-2-9-23-22(6-1)18-33-32-30(23)26-10-3-4-11-27(26)34-31(32)25-17-15-21-13-12-19-7-5-8-20-14-16-24(25)29(21)28(19)20/h2-29,45H;1-27H;1-18H
InChIKeyRQHAEKXPYUSVKS-UHFFFAOYSA-N
XLogP32.88
TPSA120.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001740.06
LogP ≤ 532.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline with MolForge

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Related Compounds

7-[4-[3-(3-isocyano-9H-fluoren-9-yl)phenyl]phenyl]benzo[c]acridine
CID 155601786
15-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene;15-[10-(6-isocyano-9-phenylcarbazol-3-yl)anthracen-9-yl]-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 158231591
2-[4-[1-(3-isocyanophenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140848174
3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-isocyano-9-quinolin-2-ylcarbazole
CID 123833312
2-[2-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 158503468
5-(10-phenylanthracen-9-yl)-2-pyren-1-ylpyrimidine
CID 88869052
4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline
CID 118261958
2-[4-(2-phenyl-6-pyren-1-ylpyrimidin-4-yl)phenyl]quinazoline
CID 130263647
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
8-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 123166105
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(4-isocyanophenyl)-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 140903795
9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 161079890

Frequently Asked Questions

What is the IUPAC name of 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline?
The IUPAC name of 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline (CID 160698350) is 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline.
What is the SMILES notation for 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline?
The canonical SMILES for 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline is [C-]#[N+]c1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4nc5ccccc5c5c4ncc4ccccc45)c4ccccc34)ccc1C2c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4nc5ccccc5c5c4ncc4ccccc45)c4ccccc34)n2)cc1.c1ccc2c(c1)cnc1c(-c3ccc4ccc5cccc6ccc3c4c56)nc3ccccc3c12.
What is the InChIKey of 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline?
The InChIKey is RQHAEKXPYUSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3.C45H27N5.C32H18N2/c1-51-33-24-26-40-43(28-33)42-27-31(23-25-39(42)45(40)30-13-3-2-4-14-30)46-35-17-7-9-19-37(35)48(38-20-10-8-18-36(38)46)50-49-47(41-21-11-12-22-44(41)53-50)34-16-6-5-15-32(34)29-52-49;1-3-15-28(16-4-1)43-48-44(29-17-5-2-6-18-29)50-45(49-43)40-34-23-11-9-21-32(34)39(33-22-10-12-24-35(33)40)42-41-38(36-25-13-14-26-37(36)47-42)31-20-8-7-19-30(31)27-46-41;1-2-9-23-22(6-1)18-33-32-30(23)26-10-3-4-11-27(26)34-31(32)25-17-15-21-13-12-19-7-5-8-20-14-16-24(25)29(21)28(19)20/h2-29,45H;1-27H;1-18H.
What are the key properties of 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline?
6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline has a molecular weight of 1740.06 g/mol, XLogP of 32.88, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-[10-(6-isocyano-9-phenyl-9H-fluoren-3-yl)anthracen-9-yl]isoquinolino[3,4-c]quinoline;6-pyren-1-ylisoquinolino[3,4-c]quinoline is sourced from PubChem (CID 160698350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).