4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline

C68H42N8 — CID 165150968

IUPAC4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6nc(-c7ccccc7)c7ccccc7n6)nc(-c6ccccc6)n5)ccc43)cc(-c3nc(-c4ccccc4)c4ccccc4n3)n2)cc1
InChIInChI=1S/C68H42N8/c1-5-19-41(20-6-1)63-51-29-15-17-31-55(51)69-67(75-63)59-39-57(71-65(73-59)43-23-9-3-10-24-43)45-33-35-49-53(37-45)61-47-27-13-14-28-48(47)62(49)54-38-46(34-36-50(54)61)58-40-60(74-66(72-58)44-25-11-4-12-26-44)68-70-56-32-18-16-30-52(56)64(76-68)42-21-7-2-8-22-42/h1-40,61-62H
InChIKeyMQFWMEAUCRVFGK-UHFFFAOYSA-N
MW971.14 g/mol
LogP15.48
Rot. Bonds8

About 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline

4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline (PubChem CID 165150968) has the molecular formula C68H42N8 and a molecular weight of 971.14 g/mol. Its IUPAC name is 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline
PubChem CID165150968
Molecular FormulaC68H42N8
Molecular Weight971.14 g/mol
Exact Mass970.35
IUPAC Name4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6nc(-c7ccccc7)c7ccccc7n6)nc(-c6ccccc6)n5)ccc43)cc(-c3nc(-c4ccccc4)c4ccccc4n3)n2)cc1
InChIInChI=1S/C68H42N8/c1-5-19-41(20-6-1)63-51-29-15-17-31-55(51)69-67(75-63)59-39-57(71-65(73-59)43-23-9-3-10-24-43)45-33-35-49-53(37-45)61-47-27-13-14-28-48(47)62(49)54-38-46(34-36-50(54)61)58-40-60(74-66(72-58)44-25-11-4-12-26-44)68-70-56-32-18-16-30-52(56)64(76-68)42-21-7-2-8-22-42/h1-40,61-62H
InChIKeyMQFWMEAUCRVFGK-UHFFFAOYSA-N
XLogP15.48
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.14
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline with MolForge

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Related Compounds

4-phenyl-2-[6-phenyl-2-[11-[4-phenyl-6-(4-phenylquinazolin-2-yl)pyrimidin-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]pyrimidin-4-yl]quinazoline
CID 165150903
2-phenyl-4-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]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]quinazoline;2-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(2-phenylquinazolin-4-yl)phenyl]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]quinazoline
CID 167576856
2-phenyl-4-[2-[6-phenyl-2-[11-[4-phenyl-6-[2-(2-phenylquinazolin-4-yl)phenyl]pyrimidin-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]pyrimidin-4-yl]phenyl]quinazoline
CID 165151414
4-anthracen-9-yl-6-[11-(6-anthracen-9-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]-2-phenylpyrimidine
CID 165151288
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
2-[2-phenyl-6-[11-(2-phenyl-6-quinoxalin-2-ylpyrimidin-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]quinoxaline
CID 165151564
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
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
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
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-[2-[2-phenyl-6-[11-[2-phenyl-6-(2-quinoxalin-2-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 165151566

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline?
The IUPAC name of 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline (CID 165150968) is 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline.
What is the SMILES notation for 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline?
The canonical SMILES for 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6nc(-c7ccccc7)c7ccccc7n6)nc(-c6ccccc6)n5)ccc43)cc(-c3nc(-c4ccccc4)c4ccccc4n3)n2)cc1.
What is the InChIKey of 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline?
The InChIKey is MQFWMEAUCRVFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N8/c1-5-19-41(20-6-1)63-51-29-15-17-31-55(51)69-67(75-63)59-39-57(71-65(73-59)43-23-9-3-10-24-43)45-33-35-49-53(37-45)61-47-27-13-14-28-48(47)62(49)54-38-46(34-36-50(54)61)58-40-60(74-66(72-58)44-25-11-4-12-26-44)68-70-56-32-18-16-30-52(56)64(76-68)42-21-7-2-8-22-42/h1-40,61-62H.
What are the key properties of 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline?
4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline has a molecular weight of 971.14 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)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]quinazoline is sourced from PubChem (CID 165150968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).