2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene

C114H77N3 — CID 163447626

IUPAC2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene
SMILESCC1=Nc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2C1c1ccccc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C43H28N2.C41H29N.C30H20/c1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33;1-27-39(29-12-4-2-5-13-29)37-26-32(24-25-38(37)42-27)28-20-22-31(23-21-28)41-35-18-10-8-16-33(35)40(30-14-6-3-7-15-30)34-17-9-11-19-36(34)41;1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24/h1-28H;2-26,39H,1H3;1-20H
InChIKeyBDVSWCMWTIDDRB-UHFFFAOYSA-N
MW1488.89 g/mol
LogP31.20
Rot. Bonds10

About 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene

2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene (PubChem CID 163447626) has the molecular formula C114H77N3 and a molecular weight of 1488.89 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene.

Molecular Properties

Compound Name2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene
PubChem CID163447626
Molecular FormulaC114H77N3
Molecular Weight1488.89 g/mol
Exact Mass1487.61
IUPAC Name2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene
SMILESCC1=Nc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2C1c1ccccc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C43H28N2.C41H29N.C30H20/c1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33;1-27-39(29-12-4-2-5-13-29)37-26-32(24-25-38(37)42-27)28-20-22-31(23-21-28)41-35-18-10-8-16-33(35)40(30-14-6-3-7-15-30)34-17-9-11-19-36(34)41;1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24/h1-28H;2-26,39H,1H3;1-20H
InChIKeyBDVSWCMWTIDDRB-UHFFFAOYSA-N
XLogP31.20
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001488.89
LogP ≤ 531.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
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
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 143548276
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
2-methyl-1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole;1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-(9-phenyl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole
CID 157224662
1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
CID 58876083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene?
The IUPAC name of 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene (CID 163447626) is 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene.
What is the SMILES notation for 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene?
The canonical SMILES for 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene is CC1=Nc2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2C1c1ccccc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene?
The InChIKey is BDVSWCMWTIDDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2.C41H29N.C30H20/c1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33;1-27-39(29-12-4-2-5-13-29)37-26-32(24-25-38(37)42-27)28-20-22-31(23-21-28)41-35-18-10-8-16-33(35)40(30-14-6-3-7-15-30)34-17-9-11-19-36(34)41;1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24/h1-28H;2-26,39H,1H3;1-20H.
What are the key properties of 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene?
2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene has a molecular weight of 1488.89 g/mol, XLogP of 31.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-3H-indole;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;9-naphthalen-2-yl-10-phenylanthracene is sourced from PubChem (CID 163447626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).