12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene

C62H41NO — CID 126612035

IUPAC12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
SMILESc1ccc(-c2ccccc2N2c3cc4c(cc3Oc3cc5c(cc32)-c2ccccc2C5(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C62H41NO/c1-6-22-42(23-7-1)47-32-18-21-37-56(47)63-57-38-50-48-33-16-19-35-52(48)61(43-24-8-2-9-25-43,44-26-10-3-11-27-44)54(50)40-59(57)64-60-41-55-51(39-58(60)63)49-34-17-20-36-53(49)62(55,45-28-12-4-13-29-45)46-30-14-5-15-31-46/h1-41H
InChIKeyQDBGDWREDNWNAA-UHFFFAOYSA-N
MW816.02 g/mol
LogP15.66
Rot. Bonds6

About 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene

12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene (PubChem CID 126612035) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene.

Molecular Properties

Compound Name12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
PubChem CID126612035
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC Name12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
SMILESc1ccc(-c2ccccc2N2c3cc4c(cc3Oc3cc5c(cc32)-c2ccccc2C5(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C62H41NO/c1-6-22-42(23-7-1)47-32-18-21-37-56(47)63-57-38-50-48-33-16-19-35-52(48)61(43-24-8-2-9-25-43,44-26-10-3-11-27-44)54(50)40-59(57)64-60-41-55-51(39-58(60)63)49-34-17-20-36-53(49)62(55,45-28-12-4-13-29-45)46-30-14-5-15-31-46/h1-41H
InChIKeyQDBGDWREDNWNAA-UHFFFAOYSA-N
XLogP15.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene with MolForge

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Related Compounds

CID 126612073
CID 126612073
2-(2,6-diphenylphenyl)-12,12,20,20-tetramethyl-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 126612072
3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138573974
14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213167
3,9,9-triphenylfluorene
CID 140844354
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
16-bromo-10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 138574315
2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine
CID 168750131
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
3-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]pyridine
CID 138574269

Frequently Asked Questions

What is the IUPAC name of 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene?
The IUPAC name of 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene (CID 126612035) is 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene.
What is the SMILES notation for 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene?
The canonical SMILES for 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene is c1ccc(-c2ccccc2N2c3cc4c(cc3Oc3cc5c(cc32)-c2ccccc2C5(c2ccccc2)c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.
What is the InChIKey of 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene?
The InChIKey is QDBGDWREDNWNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-6-22-42(23-7-1)47-32-18-21-37-56(47)63-57-38-50-48-33-16-19-35-52(48)61(43-24-8-2-9-25-43,44-26-10-3-11-27-44)54(50)40-59(57)64-60-41-55-51(39-58(60)63)49-34-17-20-36-53(49)62(55,45-28-12-4-13-29-45)46-30-14-5-15-31-46/h1-41H.
What are the key properties of 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene?
12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene has a molecular weight of 816.02 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene is sourced from PubChem (CID 126612035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).