9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C50H34N4 — CID 130184122

IUPAC9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESC1=C(c2ccccc2)NC(n2c3ccccc3c3c4c(ccc32)c2ccc3ccccc3c2n4-c2ccc(-c3ccccc3)cc2)N=C1c1ccccc1
InChIInChI=1S/C50H34N4/c1-4-14-33(15-5-1)34-24-27-38(28-25-34)53-48-39-21-11-10-16-35(39)26-29-40(48)41-30-31-46-47(49(41)53)42-22-12-13-23-45(42)54(46)50-51-43(36-17-6-2-7-18-36)32-44(52-50)37-19-8-3-9-20-37/h1-32,50-51H
InChIKeyUAVJCDTUSDLEQT-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.30
Rot. Bonds5

About 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 130184122) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID130184122
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESC1=C(c2ccccc2)NC(n2c3ccccc3c3c4c(ccc32)c2ccc3ccccc3c2n4-c2ccc(-c3ccccc3)cc2)N=C1c1ccccc1
InChIInChI=1S/C50H34N4/c1-4-14-33(15-5-1)34-24-27-38(28-25-34)53-48-39-21-11-10-16-35(39)26-29-40(48)41-30-31-46-47(49(41)53)42-22-12-13-23-45(42)54(46)50-51-43(36-17-6-2-7-18-36)32-44(52-50)37-19-8-3-9-20-37/h1-32,50-51H
InChIKeyUAVJCDTUSDLEQT-UHFFFAOYSA-N
XLogP12.30
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

14-phenyl-3-(4-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 154589079
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
9,24-bis(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146253453
9-phenyl-14-(4-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 174363945
19-(4-phenylphenyl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 135162831
3-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258443
9,14-bis(4-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9,14-bis(4-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene;5,12-dinaphthalen-2-ylindolo[3,2-c]carbazole
CID 159644153
3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]carbazole
CID 90051095
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
3-(4-phenylphenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 118361110

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 130184122) is 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is C1=C(c2ccccc2)NC(n2c3ccccc3c3c4c(ccc32)c2ccc3ccccc3c2n4-c2ccc(-c3ccccc3)cc2)N=C1c1ccccc1.
What is the InChIKey of 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is UAVJCDTUSDLEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-4-14-33(15-5-1)34-24-27-38(28-25-34)53-48-39-21-11-10-16-35(39)26-29-40(48)41-30-31-46-47(49(41)53)42-22-12-13-23-45(42)54(46)50-51-43(36-17-6-2-7-18-36)32-44(52-50)37-19-8-3-9-20-37/h1-32,50-51H.
What are the key properties of 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 690.85 g/mol, XLogP of 12.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 130184122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).