26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene

C52H32N4 — CID 90432173

IUPAC26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8c8cc9ccccc9n8c7cc65)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-35(25-23-34)51-42-18-7-9-19-45(42)53-52(54-51)36-26-28-38(29-27-36)55-47-21-11-8-17-41(47)44-31-43-39-15-5-6-16-40(39)48-30-37-14-4-10-20-46(37)56(48)50(43)32-49(44)55/h1-32H
InChIKeySGEGHIDCOSOUAX-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.44
Rot. Bonds4

About 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene

26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene (PubChem CID 90432173) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene.

Molecular Properties

Compound Name26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
PubChem CID90432173
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8c8cc9ccccc9n8c7cc65)cc4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-35(25-23-34)51-42-18-7-9-19-45(42)53-52(54-51)36-26-28-38(29-27-36)55-47-21-11-8-17-41(47)44-31-43-39-15-5-6-16-40(39)48-30-37-14-4-10-20-46(37)56(48)50(43)32-49(44)55/h1-32H
InChIKeySGEGHIDCOSOUAX-UHFFFAOYSA-N
XLogP13.44
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene with MolForge

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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
26-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432864
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118331220
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180197
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
11-naphthalen-2-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 160949028
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154

Frequently Asked Questions

What is the IUPAC name of 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene?
The IUPAC name of 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene (CID 90432173) is 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene.
What is the SMILES notation for 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene?
The canonical SMILES for 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8c8cc9ccccc9n8c7cc65)cc4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene?
The InChIKey is SGEGHIDCOSOUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-35(25-23-34)51-42-18-7-9-19-45(42)53-52(54-51)36-26-28-38(29-27-36)55-47-21-11-8-17-41(47)44-31-43-39-15-5-6-16-40(39)48-30-37-14-4-10-20-46(37)56(48)50(43)32-49(44)55/h1-32H.
What are the key properties of 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene?
26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene has a molecular weight of 712.86 g/mol, XLogP of 13.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene is sourced from PubChem (CID 90432173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).