25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene

C42H25N3S2 — CID 145442096

IUPAC25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5c6c(ccc5c5ccc7ccccc7c54)Sc4ccccc4S6)nc4ccccc34)cc2)cc1
InChIInChI=1S/C42H25N3S2/c1-2-10-26(11-3-1)27-18-20-29(21-19-27)38-33-14-6-7-15-34(33)43-42(44-38)45-39-30-13-5-4-12-28(30)22-23-31(39)32-24-25-37-41(40(32)45)47-36-17-9-8-16-35(36)46-37/h1-25H
InChIKeyVNVHYCCRTBZQFA-UHFFFAOYSA-N
MW635.82 g/mol
LogP11.83
Rot. Bonds3

About 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene

25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene (PubChem CID 145442096) has the molecular formula C42H25N3S2 and a molecular weight of 635.82 g/mol. Its IUPAC name is 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
PubChem CID145442096
Molecular FormulaC42H25N3S2
Molecular Weight635.82 g/mol
Exact Mass635.15
IUPAC Name25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5c6c(ccc5c5ccc7ccccc7c54)Sc4ccccc4S6)nc4ccccc34)cc2)cc1
InChIInChI=1S/C42H25N3S2/c1-2-10-26(11-3-1)27-18-20-29(21-19-27)38-33-14-6-7-15-34(33)43-42(44-38)45-39-30-13-5-4-12-28(30)22-23-31(39)32-24-25-37-41(40(32)45)47-36-17-9-8-16-35(36)46-37/h1-25H
InChIKeyVNVHYCCRTBZQFA-UHFFFAOYSA-N
XLogP11.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.82
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

25-(4,6-diphenylpyrimidin-2-yl)-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
CID 134179149
3-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 163789043
24-[4-(4-phenylphenyl)quinazolin-2-yl]-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432163
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
10-(9,9-dimethylfluoren-2-yl)-12-[4-(4-phenylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552638
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552660
16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163802710
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene
CID 134179156
14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-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 135165926
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
CID 142324169
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710

Frequently Asked Questions

What is the IUPAC name of 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene?
The IUPAC name of 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene (CID 145442096) is 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene?
The canonical SMILES for 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene is c1ccc(-c2ccc(-c3nc(-n4c5c6c(ccc5c5ccc7ccccc7c54)Sc4ccccc4S6)nc4ccccc34)cc2)cc1.
What is the InChIKey of 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene?
The InChIKey is VNVHYCCRTBZQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3S2/c1-2-10-26(11-3-1)27-18-20-29(21-19-27)38-33-14-6-7-15-34(33)43-42(44-38)45-39-30-13-5-4-12-28(30)22-23-31(39)32-24-25-37-41(40(32)45)47-36-17-9-8-16-35(36)46-37/h1-25H.
What are the key properties of 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene?
25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene has a molecular weight of 635.82 g/mol, XLogP of 11.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25-[4-(4-phenylphenyl)quinazolin-2-yl]-3,10-dithia-25-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 145442096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).