15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene

C50H30N4O2 — CID 145390325

IUPAC15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c(c7ccc8c(c7n6-c6ccccc6)Oc6ccccc6O8)c54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H30N4O2/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-37-18-7-9-19-39(37)51-50(52-46)54-40-20-10-8-17-35(40)36-27-29-41-45(47(36)54)38-28-30-44-49(56-43-22-12-11-21-42(43)55-44)48(38)53(41)34-15-5-2-6-16-34/h1-30H
InChIKeyXUIABKAOMLJLAM-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.06
Rot. Bonds4

About 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene

15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene (PubChem CID 145390325) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene.

Molecular Properties

Compound Name15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene
PubChem CID145390325
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c(c7ccc8c(c7n6-c6ccccc6)Oc6ccccc6O8)c54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H30N4O2/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-37-18-7-9-19-39(37)51-50(52-46)54-40-20-10-8-17-35(40)36-27-29-41-45(47(36)54)38-28-30-44-49(56-43-22-12-11-21-42(43)55-44)48(38)53(41)34-15-5-2-6-16-34/h1-30H
InChIKeyXUIABKAOMLJLAM-UHFFFAOYSA-N
XLogP13.06
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene with MolForge

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Related Compounds

20-phenyl-9-[4-(4-phenylphenyl)quinazolin-2-yl]-7,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138639873
9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672648
15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126678269
12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679655
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 161306805
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118441937
9-phenyl-25-(4-phenylquinazolin-2-yl)-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 140913954
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 162053417
4-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-naphthalen-2-ylquinazolin-2-yl)-4-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-4-(4-phenylbenzo[h]quinazolin-2-yl)-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 157480824
14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
CID 90267141
9-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369954
12-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 129231062

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene?
The IUPAC name of 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene (CID 145390325) is 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene.
What is the SMILES notation for 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene?
The canonical SMILES for 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c(c7ccc8c(c7n6-c6ccccc6)Oc6ccccc6O8)c54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene?
The InChIKey is XUIABKAOMLJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-37-18-7-9-19-39(37)51-50(52-46)54-40-20-10-8-17-35(40)36-27-29-41-45(47(36)54)38-28-30-44-49(56-43-22-12-11-21-42(43)55-44)48(38)53(41)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene?
15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene has a molecular weight of 718.82 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-4-[4-(4-phenylphenyl)quinazolin-2-yl]-18,25-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,26.019,24]octacosa-1(16),2(14),3(11),5,7,9,12,17(26),19,21,23,27-dodecaene is sourced from PubChem (CID 145390325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).