2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline

C51H32N2 — CID 118472989

IUPAC2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)Cc5c-6ccc6c7ccccc7c7ccccc7c56)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C51H32N2/c1-2-10-32(11-3-1)33-18-22-35(23-19-33)50-46-16-8-9-17-48(46)52-51(53-50)36-24-20-34(21-25-36)37-26-27-39-38(30-37)31-47-43(39)28-29-45-42-14-5-4-12-40(42)41-13-6-7-15-44(41)49(45)47/h1-30H,31H2
InChIKeyAEICGEWLESENSD-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.33
Rot. Bonds4

About 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline

2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline (PubChem CID 118472989) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
PubChem CID118472989
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)Cc5c-6ccc6c7ccccc7c7ccccc7c56)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C51H32N2/c1-2-10-32(11-3-1)33-18-22-35(23-19-33)50-46-16-8-9-17-48(46)52-51(53-50)36-24-20-34(21-25-36)37-26-27-39-38(30-37)31-47-43(39)28-29-45-42-14-5-4-12-40(42)41-13-6-7-15-44(41)49(45)47/h1-30H,31H2
InChIKeyAEICGEWLESENSD-UHFFFAOYSA-N
XLogP13.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline with MolForge

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Related Compounds

4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
2-[4-(16,16-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 118472825
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429
21-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475328
22-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475063
2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581
4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
CID 122487401
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-4-phenylquinazoline
CID 167410894

Frequently Asked Questions

What is the IUPAC name of 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline (CID 118472989) is 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)Cc5c-6ccc6c7ccccc7c7ccccc7c56)cc4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline?
The InChIKey is AEICGEWLESENSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-2-10-32(11-3-1)33-18-22-35(23-19-33)50-46-16-8-9-17-48(46)52-51(53-50)36-24-20-34(21-25-36)37-26-27-39-38(30-37)31-47-43(39)28-29-45-42-14-5-4-12-40(42)41-13-6-7-15-44(41)49(45)47/h1-30H,31H2.
What are the key properties of 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline?
2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline has a molecular weight of 672.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 118472989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).