4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene

C126H78 — CID 159591675

IUPAC4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5ccc6ccccc6c5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)ccc2c1
InChIInChI=1S/3C42H26/c1-2-11-28-25-32(21-20-27(28)10-1)41-36-14-5-7-16-38(36)42(39-17-8-6-15-37(39)41)35-19-9-18-33-34(35)23-22-31-24-29-12-3-4-13-30(29)26-40(31)33;1-2-13-29-25-30(23-21-27(29)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)39-26-31-24-22-28-12-3-4-14-32(28)40(31)34-16-6-5-15-33(34)39;1-2-12-28-25-29(22-21-27(28)11-1)41-36-17-7-9-19-38(36)42(39-20-10-8-18-37(39)41)30-23-24-35-33-15-4-3-13-31(33)32-14-5-6-16-34(32)40(35)26-30/h3*1-26H
InChIKeyMKHZZBNLUDDNNQ-UHFFFAOYSA-N
MW1592.01 g/mol
LogP35.82
Rot. Bonds6

About 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene

4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene (PubChem CID 159591675) has the molecular formula C126H78 and a molecular weight of 1592.01 g/mol. Its IUPAC name is 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene.

Molecular Properties

Compound Name4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
PubChem CID159591675
Molecular FormulaC126H78
Molecular Weight1592.01 g/mol
Exact Mass1590.61
IUPAC Name4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5ccc6ccccc6c5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)ccc2c1
InChIInChI=1S/3C42H26/c1-2-11-28-25-32(21-20-27(28)10-1)41-36-14-5-7-16-38(36)42(39-17-8-6-15-37(39)41)35-19-9-18-33-34(35)23-22-31-24-29-12-3-4-13-30(29)26-40(31)33;1-2-13-29-25-30(23-21-27(29)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)39-26-31-24-22-28-12-3-4-14-32(28)40(31)34-16-6-5-15-33(34)39;1-2-12-28-25-29(22-21-27(28)11-1)41-36-17-7-9-19-38(36)42(39-20-10-8-18-37(39)41)30-23-24-35-33-15-4-3-13-31(33)32-14-5-6-16-34(32)40(35)26-30/h3*1-26H
InChIKeyMKHZZBNLUDDNNQ-UHFFFAOYSA-N
XLogP35.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001592.01
LogP ≤ 535.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;9-naphthalen-2-yl-10-phenanthren-3-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;2-(10-phenylanthracen-9-yl)triphenylene
CID 167541115
9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159751343
9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160608667
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
CID 59622690
17-(10-benzo[a]anthracen-4-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;17-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;17-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;17-(10-triphenylen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 157286980
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412700
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412578
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124

Frequently Asked Questions

What is the IUPAC name of 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene?
The IUPAC name of 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene (CID 159591675) is 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene.
What is the SMILES notation for 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene?
The canonical SMILES for 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene is c1ccc2cc(-c3c4ccccc4c(-c4cc5ccc6ccccc6c5c5ccccc45)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)ccc2c1.
What is the InChIKey of 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene?
The InChIKey is MKHZZBNLUDDNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H26/c1-2-11-28-25-32(21-20-27(28)10-1)41-36-14-5-7-16-38(36)42(39-17-8-6-15-37(39)41)35-19-9-18-33-34(35)23-22-31-24-29-12-3-4-13-30(29)26-40(31)33;1-2-13-29-25-30(23-21-27(29)11-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)39-26-31-24-22-28-12-3-4-14-32(28)40(31)34-16-6-5-15-33(34)39;1-2-12-28-25-29(22-21-27(28)11-1)41-36-17-7-9-19-38(36)42(39-20-10-8-18-37(39)41)30-23-24-35-33-15-4-3-13-31(33)32-14-5-6-16-34(32)40(35)26-30/h3*1-26H.
What are the key properties of 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene?
4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene has a molecular weight of 1592.01 g/mol, XLogP of 35.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene is sourced from PubChem (CID 159591675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).