6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline

C70H44N6 — CID 165151561

IUPAC6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ncccc5c4)cc3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc(-c7ccc8ncccc8c7)cc6)nc(-c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/C70H44N6/c1-3-11-47(12-4-1)69-73-63(45-23-19-43(20-24-45)49-29-33-61-51(37-49)15-9-35-71-61)41-65(75-69)53-27-31-57-59(39-53)67-55-17-7-8-18-56(55)68(57)60-40-54(28-32-58(60)67)66-42-64(74-70(76-66)48-13-5-2-6-14-48)46-25-21-44(22-26-46)50-30-34-62-52(38-50)16-10-36-72-62/h1-42,67-68H
InChIKeyVXPARYQJQRDCMM-UHFFFAOYSA-N
MW969.16 g/mol
LogP16.69
Rot. Bonds8

About 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline

6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline (PubChem CID 165151561) has the molecular formula C70H44N6 and a molecular weight of 969.16 g/mol. Its IUPAC name is 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline
PubChem CID165151561
Molecular FormulaC70H44N6
Molecular Weight969.16 g/mol
Exact Mass968.36
IUPAC Name6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ncccc5c4)cc3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc(-c7ccc8ncccc8c7)cc6)nc(-c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/C70H44N6/c1-3-11-47(12-4-1)69-73-63(45-23-19-43(20-24-45)49-29-33-61-51(37-49)15-9-35-71-61)41-65(75-69)53-27-31-57-59(39-53)67-55-17-7-8-18-56(55)68(57)60-40-54(28-32-58(60)67)66-42-64(74-70(76-66)48-13-5-2-6-14-48)46-25-21-44(22-26-46)50-30-34-62-52(38-50)16-10-36-72-62/h1-42,67-68H
InChIKeyVXPARYQJQRDCMM-UHFFFAOYSA-N
XLogP16.69
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.16
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline with MolForge

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Related Compounds

4-naphthalen-2-yl-2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151260
2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 165150540
3-[4-[4-phenyl-6-[11-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165151053
2,4-diphenyl-6-[11-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150713
2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165150447
2,4-diphenyl-6-[11-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150606
2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150680
6-[2-[2-phenyl-6-[11-[2-phenyl-6-(2-quinoxalin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoxaline
CID 165151318
2-phenyl-4-(2-phenylphenyl)-6-[4-[11-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]pyrimidine
CID 165151570
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
4-(3,5-diphenylphenyl)-2-[11-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165150725
2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
CID 165150820

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline (CID 165151561) is 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccc(-c4ccc5ncccc5c4)cc3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc(-c7ccc8ncccc8c7)cc6)nc(-c6ccccc6)n5)ccc43)n2)cc1.
What is the InChIKey of 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline?
The InChIKey is VXPARYQJQRDCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N6/c1-3-11-47(12-4-1)69-73-63(45-23-19-43(20-24-45)49-29-33-61-51(37-49)15-9-35-71-61)41-65(75-69)53-27-31-57-59(39-53)67-55-17-7-8-18-56(55)68(57)60-40-54(28-32-58(60)67)66-42-64(74-70(76-66)48-13-5-2-6-14-48)46-25-21-44(22-26-46)50-30-34-62-52(38-50)16-10-36-72-62/h1-42,67-68H.
What are the key properties of 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline?
6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline has a molecular weight of 969.16 g/mol, XLogP of 16.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-phenyl-6-[11-[2-phenyl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 165151561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).