4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine

C62H42N4O2 — CID 143904743

IUPAC4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine
SMILESC1=C(c2cccc(-c3ccc4c(c3)oc3c4ccc4c5ccc(-c6cccc(C7C=C(c8ccccc8)N=C(c8ccccc8)N7)c6)cc5oc43)c2)N=C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C62H42N4O2/c1-5-15-39(16-6-1)53-37-55(65-61(63-53)41-19-9-3-10-20-41)47-25-13-23-43(33-47)45-27-29-49-51-31-32-52-50-30-28-46(36-58(50)68-60(52)59(51)67-57(49)35-45)44-24-14-26-48(34-44)56-38-54(40-17-7-2-8-18-40)64-62(66-56)42-21-11-4-12-22-42/h1-38,53,56H,(H,63,65)(H,64,66)
InChIKeyPYUZSULGYIHTIC-UHFFFAOYSA-N
MW875.04 g/mol
LogP15.08
Rot. Bonds8

About 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine

4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine (PubChem CID 143904743) has the molecular formula C62H42N4O2 and a molecular weight of 875.04 g/mol. Its IUPAC name is 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine.

Molecular Properties

Compound Name4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine
PubChem CID143904743
Molecular FormulaC62H42N4O2
Molecular Weight875.04 g/mol
Exact Mass874.33
IUPAC Name4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine
SMILESC1=C(c2cccc(-c3ccc4c(c3)oc3c4ccc4c5ccc(-c6cccc(C7C=C(c8ccccc8)N=C(c8ccccc8)N7)c6)cc5oc43)c2)N=C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C62H42N4O2/c1-5-15-39(16-6-1)53-37-55(65-61(63-53)41-19-9-3-10-20-41)47-25-13-23-43(33-47)45-27-29-49-51-31-32-52-50-30-28-46(36-58(50)68-60(52)59(51)67-57(49)35-45)44-24-14-26-48(34-44)56-38-54(40-17-7-2-8-18-40)64-62(66-56)42-21-11-4-12-22-42/h1-38,53,56H,(H,63,65)(H,64,66)
InChIKeyPYUZSULGYIHTIC-UHFFFAOYSA-N
XLogP15.08
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.04
LogP ≤ 515.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine with MolForge

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Related Compounds

7-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-3,4-dimethyl-2,5-diphenyl-3H-azepine
CID 143904808
2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine
CID 166961446
4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine
CID 174304671
7-[3-[3-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]phenyl]-11,12-dihydrophenanthro[9,10-b]pyridine
CID 137307548
16-[3-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 137047687
N-[4-[1-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 166974617
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidine
CID 170410128
7-[4-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]-3-phenanthren-2-ylbenzo[c]carbazole
CID 137214905
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine
CID 170366115
4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134299619
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278

Frequently Asked Questions

What is the IUPAC name of 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine?
The IUPAC name of 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine (CID 143904743) is 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine.
What is the SMILES notation for 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine?
The canonical SMILES for 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine is C1=C(c2cccc(-c3ccc4c(c3)oc3c4ccc4c5ccc(-c6cccc(C7C=C(c8ccccc8)N=C(c8ccccc8)N7)c6)cc5oc43)c2)N=C(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine?
The InChIKey is PYUZSULGYIHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4O2/c1-5-15-39(16-6-1)53-37-55(65-61(63-53)41-19-9-3-10-20-41)47-25-13-23-43(33-47)45-27-29-49-51-31-32-52-50-30-28-46(36-58(50)68-60(52)59(51)67-57(49)35-45)44-24-14-26-48(34-44)56-38-54(40-17-7-2-8-18-40)64-62(66-56)42-21-11-4-12-22-42/h1-38,53,56H,(H,63,65)(H,64,66).
What are the key properties of 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine?
4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine has a molecular weight of 875.04 g/mol, XLogP of 15.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine is sourced from PubChem (CID 143904743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).