2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene

C136H85N5 — CID 158397340

IUPAC2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccc5ccccc5c34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccc5ccccc5c34)n2)cc1.c1ccc(-c2nc3ccccc3n2-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccc4ccccc4c23)cc1
InChIInChI=1S/C47H29N3.C45H28N2.C44H28/c1-3-15-33(16-4-1)45-48-46(34-17-5-2-6-18-34)50-47(49-45)44-39-22-12-11-21-38(39)42(40-28-27-31-14-8-10-20-37(31)43(40)44)35-26-25-32-24-23-30-13-7-9-19-36(30)41(32)29-35;1-2-14-32(15-3-1)45-46-40-20-10-11-21-41(40)47(45)44-37-19-9-8-18-36(37)42(38-27-26-30-13-5-7-17-35(30)43(38)44)33-25-24-31-23-22-29-12-4-6-16-34(29)39(31)28-33;1-2-10-29(11-3-1)30-18-23-34(24-19-30)43-39-17-9-8-16-38(39)42(40-27-26-32-13-5-7-15-37(32)44(40)43)35-25-22-33-21-20-31-12-4-6-14-36(31)41(33)28-35/h1-29H;1-28H;1-28H
InChIKeyGXRCCBCPPWFLRZ-UHFFFAOYSA-N
MW1789.21 g/mol
LogP36.88
Rot. Bonds10

About 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene

2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene (PubChem CID 158397340) has the molecular formula C136H85N5 and a molecular weight of 1789.21 g/mol. Its IUPAC name is 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene.

Molecular Properties

Compound Name2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene
PubChem CID158397340
Molecular FormulaC136H85N5
Molecular Weight1789.21 g/mol
Exact Mass1787.68
IUPAC Name2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccc5ccccc5c34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccc5ccccc5c34)n2)cc1.c1ccc(-c2nc3ccccc3n2-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccc4ccccc4c23)cc1
InChIInChI=1S/C47H29N3.C45H28N2.C44H28/c1-3-15-33(16-4-1)45-48-46(34-17-5-2-6-18-34)50-47(49-45)44-39-22-12-11-21-38(39)42(40-28-27-31-14-8-10-20-37(31)43(40)44)35-26-25-32-24-23-30-13-7-9-19-36(30)41(32)29-35;1-2-14-32(15-3-1)45-46-40-20-10-11-21-41(40)47(45)44-37-19-9-8-18-36(37)42(38-27-26-30-13-5-7-17-35(30)43(38)44)33-25-24-31-23-22-29-12-4-6-16-34(29)39(31)28-33;1-2-10-29(11-3-1)30-18-23-34(24-19-30)43-39-17-9-8-16-38(39)42(40-27-26-32-13-5-7-15-37(32)44(40)43)35-25-22-33-21-20-31-12-4-6-14-36(31)41(33)28-35/h1-29H;1-28H;1-28H
InChIKeyGXRCCBCPPWFLRZ-UHFFFAOYSA-N
XLogP36.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001789.21
LogP ≤ 536.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene with MolForge

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Related Compounds

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CID 166510005
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 71230060
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CID 118503706
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-2-phenylbenzimidazole
CID 169071962
4,6-diphenyl-2-[4-(7-phenylbenzo[a]anthracen-12-yl)phenyl]pyrimidine
CID 164799714
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
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Frequently Asked Questions

What is the IUPAC name of 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene?
The IUPAC name of 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene (CID 158397340) is 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene.
What is the SMILES notation for 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene?
The canonical SMILES for 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccc5ccccc5c34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5c4)c4ccc5ccccc5c34)n2)cc1.c1ccc(-c2nc3ccccc3n2-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4c3)c3ccc4ccccc4c23)cc1.
What is the InChIKey of 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene?
The InChIKey is GXRCCBCPPWFLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3.C45H28N2.C44H28/c1-3-15-33(16-4-1)45-48-46(34-17-5-2-6-18-34)50-47(49-45)44-39-22-12-11-21-38(39)42(40-28-27-31-14-8-10-20-37(31)43(40)44)35-26-25-32-24-23-30-13-7-9-19-36(30)41(32)29-35;1-2-14-32(15-3-1)45-46-40-20-10-11-21-41(40)47(45)44-37-19-9-8-18-36(37)42(38-27-26-30-13-5-7-17-35(30)43(38)44)33-25-24-31-23-22-29-12-4-6-16-34(29)39(31)28-33;1-2-10-29(11-3-1)30-18-23-34(24-19-30)43-39-17-9-8-16-38(39)42(40-27-26-32-13-5-7-15-37(32)44(40)43)35-25-22-33-21-20-31-12-4-6-14-36(31)41(33)28-35/h1-29H;1-28H;1-28H.
What are the key properties of 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene?
2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene has a molecular weight of 1789.21 g/mol, XLogP of 36.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-4,6-diphenyl-1,3,5-triazine;1-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)-2-phenylbenzimidazole;7-phenanthren-3-yl-12-(4-phenylphenyl)benzo[a]anthracene is sourced from PubChem (CID 158397340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).