5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C48H29BO2 — CID 159026532

IUPAC5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(c5)Oc5cccc7c5B6c5ccccc5O7)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C48H29BO2/c1-2-11-30(12-3-1)46-36-13-4-6-15-38(36)47(39-16-7-5-14-37(39)46)35-24-23-31-27-32(21-22-33(31)28-35)34-25-26-41-45(29-34)51-44-20-10-19-43-48(44)49(41)40-17-8-9-18-42(40)50-43/h1-29H
InChIKeyJUIPPIDOZMJWRY-UHFFFAOYSA-N
MW648.57 g/mol
LogP10.87
Rot. Bonds3

About 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 159026532) has the molecular formula C48H29BO2 and a molecular weight of 648.57 g/mol. Its IUPAC name is 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
PubChem CID159026532
Molecular FormulaC48H29BO2
Molecular Weight648.57 g/mol
Exact Mass648.23
IUPAC Name5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(c5)Oc5cccc7c5B6c5ccccc5O7)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C48H29BO2/c1-2-11-30(12-3-1)46-36-13-4-6-15-38(36)47(39-16-7-5-14-37(39)46)35-24-23-31-27-32(21-22-33(31)28-35)34-25-26-41-45(29-34)51-44-20-10-19-43-48(44)49(41)40-17-8-9-18-42(40)50-43/h1-29H
InChIKeyJUIPPIDOZMJWRY-UHFFFAOYSA-N
XLogP10.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.57
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

5-phenyl-17-(10-phenylanthracen-9-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 159640371
5,11-bis(10-phenylanthracen-9-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 161009582
4-[4-(10-phenylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 142513814
11-[4-(10-phenylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158344180
11-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 154590860
4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 154590975
11-[2-(9,10-diphenylanthracen-2-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 154590943
5-(10-phenanthren-9-ylanthracen-9-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;10-[10-(2-phenylphenyl)anthracen-9-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[10-(2-phenylphenyl)anthracen-9-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 160628308
11-[3-[3-(3-phenylphenyl)phenyl]phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 153293280
15,21,34,40-tetraoxa-1,8-diboradodecacyclo[33.11.1.18,16.02,33.04,31.05,24.07,22.09,14.025,30.039,47.041,46.020,48]octatetraconta-2,4(31),5(24),6,9,11,13,16(48),17,19,22,25,27,29,32,35,37,39(47),41,43,45-henicosaene
CID 163600855
4-[4-(17-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]pyridine
CID 144879419
9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-3-(10-phenylanthracen-9-yl)carbazole
CID 171783235

Frequently Asked Questions

What is the IUPAC name of 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 159026532) is 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(c5)Oc5cccc7c5B6c5ccccc5O7)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The InChIKey is JUIPPIDOZMJWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29BO2/c1-2-11-30(12-3-1)46-36-13-4-6-15-38(36)47(39-16-7-5-14-37(39)46)35-24-23-31-27-32(21-22-33(31)28-35)34-25-26-41-45(29-34)51-44-20-10-19-43-48(44)49(41)40-17-8-9-18-42(40)50-43/h1-29H.
What are the key properties of 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 648.57 g/mol, XLogP of 10.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 159026532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).