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

C60H38N4 — CID 165151260

IUPAC4-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
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/C60H38N4/c1-3-15-39(16-4-1)53-35-54(43-25-23-37-13-7-9-19-41(37)31-43)64-60(61-53)46-28-30-50-52(34-46)58-48-22-12-11-21-47(48)57(50)51-33-45(27-29-49(51)58)56-36-55(62-59(63-56)40-17-5-2-6-18-40)44-26-24-38-14-8-10-20-42(38)32-44/h1-36,57-58H
InChIKeyBSJGNPLRLHPMKN-UHFFFAOYSA-N
MW814.99 g/mol
LogP14.56
Rot. Bonds6

About 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

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 (PubChem CID 165151260) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID165151260
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name4-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
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/C60H38N4/c1-3-15-39(16-4-1)53-35-54(43-25-23-37-13-7-9-19-41(37)31-43)64-60(61-53)46-28-30-50-52(34-46)58-48-22-12-11-21-47(48)57(50)51-33-45(27-29-49(51)58)56-36-55(62-59(63-56)40-17-5-2-6-18-40)44-26-24-38-14-8-10-20-42(38)32-44/h1-36,57-58H
InChIKeyBSJGNPLRLHPMKN-UHFFFAOYSA-N
XLogP14.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[11-(4,6-diphenyl-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]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165151326
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
2,4-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-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
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
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
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
bis(2-[4-[11-[4-(4,6-diphenyl-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]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-phenylphenyl)-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 167580611
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)ccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is BSJGNPLRLHPMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-3-15-39(16-4-1)53-35-54(43-25-23-37-13-7-9-19-41(37)31-43)64-60(61-53)46-28-30-50-52(34-46)58-48-22-12-11-21-47(48)57(50)51-33-45(27-29-49(51)58)56-36-55(62-59(63-56)40-17-5-2-6-18-40)44-26-24-38-14-8-10-20-42(38)32-44/h1-36,57-58H.
What are the key properties of 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?
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 has a molecular weight of 814.99 g/mol, XLogP of 14.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165151260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).