25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene

C56H33N5O2 — CID 134559982

IUPAC25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7c8c(cc5n6-c5ccccc5)Oc5ccccc5N8c5ccccc5O7)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C56H33N5O2/c1-3-15-34(16-4-1)53-39-20-7-9-21-42(39)57-56(58-53)61-43-22-10-8-19-38(43)40-31-35(27-29-44(40)61)36-28-30-45-41(32-36)52-48(59(45)37-17-5-2-6-18-37)33-51-54-55(52)63-50-26-14-12-24-47(50)60(54)46-23-11-13-25-49(46)62-51/h1-33H
InChIKeyVGYQCBDOCSSNFW-UHFFFAOYSA-N
MW807.91 g/mol
LogP14.84
Rot. Bonds4

About 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene

25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene (PubChem CID 134559982) has the molecular formula C56H33N5O2 and a molecular weight of 807.91 g/mol. Its IUPAC name is 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene.

Molecular Properties

Compound Name25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
PubChem CID134559982
Molecular FormulaC56H33N5O2
Molecular Weight807.91 g/mol
Exact Mass807.26
IUPAC Name25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7c8c(cc5n6-c5ccccc5)Oc5ccccc5N8c5ccccc5O7)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C56H33N5O2/c1-3-15-34(16-4-1)53-39-20-7-9-21-42(39)57-56(58-53)61-43-22-10-8-19-38(43)40-31-35(27-29-44(40)61)36-28-30-45-41(32-36)52-48(59(45)37-17-5-2-6-18-37)33-51-54-55(52)63-50-26-14-12-24-47(50)60(54)46-23-11-13-25-49(46)62-51/h1-33H
InChIKeyVGYQCBDOCSSNFW-UHFFFAOYSA-N
XLogP14.84
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.91
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene with MolForge

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Related Compounds

25-(3-phenylphenyl)-21-[9-(3-phenylphenyl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 142357461
19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 134560065
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene
CID 134559904
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 155419303
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186

Frequently Asked Questions

What is the IUPAC name of 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene?
The IUPAC name of 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene (CID 134559982) is 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene.
What is the SMILES notation for 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene?
The canonical SMILES for 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7c8c(cc5n6-c5ccccc5)Oc5ccccc5N8c5ccccc5O7)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene?
The InChIKey is VGYQCBDOCSSNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5O2/c1-3-15-34(16-4-1)53-39-20-7-9-21-42(39)57-56(58-53)61-43-22-10-8-19-38(43)40-31-35(27-29-44(40)61)36-28-30-45-41(32-36)52-48(59(45)37-17-5-2-6-18-37)33-51-54-55(52)63-50-26-14-12-24-47(50)60(54)46-23-11-13-25-49(46)62-51/h1-33H.
What are the key properties of 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene?
25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene has a molecular weight of 807.91 g/mol, XLogP of 14.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 25-phenyl-21-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene is sourced from PubChem (CID 134559982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).