2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine

C98H58N6O2 — CID 163426626

IUPAC2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4cc5ccccc5c5ccccc45)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4ccc5ccc6ccccc6c5c4)n3)ccc2c1
InChIInChI=1S/2C49H29N3O/c1-2-11-33-26-37(25-20-30(33)10-1)48-50-47(51-49(52-48)42-28-36-14-5-6-15-38(36)40-16-7-8-17-41(40)42)32-23-21-31(22-24-32)39-18-9-19-44-46(39)43-27-34-12-3-4-13-35(34)29-45(43)53-44;1-2-10-35-26-38(24-16-30(35)8-1)48-50-47(51-49(52-48)39-25-21-33-18-17-31-9-5-6-13-40(31)42(33)28-39)34-22-19-32(20-23-34)41-14-7-15-44-46(41)43-27-36-11-3-4-12-37(36)29-45(43)53-44/h2*1-29H
InChIKeyANBUDRJNDQKTAF-UHFFFAOYSA-N
MW1351.58 g/mol
LogP26.10
Rot. Bonds8

About 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine

2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine (PubChem CID 163426626) has the molecular formula C98H58N6O2 and a molecular weight of 1351.58 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
PubChem CID163426626
Molecular FormulaC98H58N6O2
Molecular Weight1351.58 g/mol
Exact Mass1350.46
IUPAC Name2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4cc5ccccc5c5ccccc45)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4ccc5ccc6ccccc6c5c4)n3)ccc2c1
InChIInChI=1S/2C49H29N3O/c1-2-11-33-26-37(25-20-30(33)10-1)48-50-47(51-49(52-48)42-28-36-14-5-6-15-38(36)40-16-7-8-17-41(40)42)32-23-21-31(22-24-32)39-18-9-19-44-46(39)43-27-34-12-3-4-13-35(34)29-45(43)53-44;1-2-10-35-26-38(24-16-30(35)8-1)48-50-47(51-49(52-48)39-25-21-33-18-17-31-9-5-6-13-40(31)42(33)28-39)34-22-19-32(20-23-34)41-14-7-15-44-46(41)43-27-36-11-3-4-12-37(36)29-45(43)53-44/h2*1-29H
InChIKeyANBUDRJNDQKTAF-UHFFFAOYSA-N
XLogP26.10
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.58
LogP ≤ 526.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenanthren-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 163884211
2-naphthalen-2-yl-4-[4-(7-naphthalen-2-yldibenzofuran-1-yl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 166741738
2-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163688076
2-naphthalen-2-yl-4-(9-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316100
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine
CID 163806375
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-1,3,5-triazine
CID 166848576
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 166742425
2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 139304153
2-naphthalen-2-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166848571
2-phenanthren-9-yl-4-(9-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742966
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742551

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine (CID 163426626) is 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4cc5ccccc5c5ccccc45)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4ccc5ccc6ccccc6c5c4)n3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine?
The InChIKey is ANBUDRJNDQKTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H29N3O/c1-2-11-33-26-37(25-20-30(33)10-1)48-50-47(51-49(52-48)42-28-36-14-5-6-15-38(36)40-16-7-8-17-41(40)42)32-23-21-31(22-24-32)39-18-9-19-44-46(39)43-27-34-12-3-4-13-35(34)29-45(43)53-44;1-2-10-35-26-38(24-16-30(35)8-1)48-50-47(51-49(52-48)39-25-21-33-18-17-31-9-5-6-13-40(31)42(33)28-39)34-22-19-32(20-23-34)41-14-7-15-44-46(41)43-27-36-11-3-4-12-37(36)29-45(43)53-44/h2*1-29H.
What are the key properties of 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine?
2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine has a molecular weight of 1351.58 g/mol, XLogP of 26.10, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine is sourced from PubChem (CID 163426626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).