12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole

C42H27N3O2 — CID 118442312

IUPAC12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
SMILESc1ccc(N2c3ccccc3N(c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4O6)cc3)c3ccccc32)cc1
InChIInChI=1S/C42H27N3O2/c1-2-12-28(13-3-1)43-34-16-6-8-18-36(34)44(37-19-9-7-17-35(37)43)29-22-24-30(25-23-29)45-33-15-5-4-14-31(33)32-26-27-40-42(41(32)45)47-39-21-11-10-20-38(39)46-40/h1-27H
InChIKeyNQNLBZPPCKKNKC-UHFFFAOYSA-N
MW605.70 g/mol
LogP11.93
Rot. Bonds3

About 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole

12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole (PubChem CID 118442312) has the molecular formula C42H27N3O2 and a molecular weight of 605.70 g/mol. Its IUPAC name is 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
PubChem CID118442312
Molecular FormulaC42H27N3O2
Molecular Weight605.70 g/mol
Exact Mass605.21
IUPAC Name12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
SMILESc1ccc(N2c3ccccc3N(c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4O6)cc3)c3ccccc32)cc1
InChIInChI=1S/C42H27N3O2/c1-2-12-28(13-3-1)43-34-16-6-8-18-36(34)44(37-19-9-7-17-35(37)43)29-22-24-30(25-23-29)45-33-15-5-4-14-31(33)32-26-27-40-42(41(32)45)47-39-21-11-10-20-38(39)46-40/h1-27H
InChIKeyNQNLBZPPCKKNKC-UHFFFAOYSA-N
XLogP11.93
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.70
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118441937
12-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 129231062
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
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
5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
CID 126570187
4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118441918
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
15-phenyl-18,25-dioxa-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),2(14),3,5(13),6,8,10,17(26),19,21,23,27-dodecaene
CID 145390318
10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
4,15-diphenyl-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
CID 145390349
2,37-diphenyl-23,43-dioxa-2,12,37-triaza-9,30-diboradodecacyclo[36.3.1.128,32.03,8.07,12.09,41.010,22.011,19.013,18.024,29.030,39.031,36]tritetraconta-1(42),3(8),4,6,10(22),11(19),13,15,17,20,24,26,28,31(36),32,34,38,40-octadecaene
CID 166498621
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685

Frequently Asked Questions

What is the IUPAC name of 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole?
The IUPAC name of 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole (CID 118442312) is 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole?
The canonical SMILES for 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole is c1ccc(N2c3ccccc3N(c3ccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4O6)cc3)c3ccccc32)cc1.
What is the InChIKey of 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole?
The InChIKey is NQNLBZPPCKKNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O2/c1-2-12-28(13-3-1)43-34-16-6-8-18-36(34)44(37-19-9-7-17-35(37)43)29-22-24-30(25-23-29)45-33-15-5-4-14-31(33)32-26-27-40-42(41(32)45)47-39-21-11-10-20-38(39)46-40/h1-27H.
What are the key properties of 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole?
12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole has a molecular weight of 605.70 g/mol, XLogP of 11.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole is sourced from PubChem (CID 118442312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).