5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole

C43H32N4O — CID 140954421

IUPAC5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
SMILESCC1(C)c2cccnc2N(c2cccc(Oc3cccc(-c4ccccn4)c3)c2)c2c1ccc1c2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C43H32N4O/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37/h3-28H,1-2H3
InChIKeyWNXNMOOOIUXVMX-UHFFFAOYSA-N
MW620.76 g/mol
LogP11.14
Rot. Bonds5

About 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole

5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole (PubChem CID 140954421) has the molecular formula C43H32N4O and a molecular weight of 620.76 g/mol. Its IUPAC name is 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole.

Molecular Properties

Compound Name5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
PubChem CID140954421
Molecular FormulaC43H32N4O
Molecular Weight620.76 g/mol
Exact Mass620.26
IUPAC Name5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
SMILESCC1(C)c2cccnc2N(c2cccc(Oc3cccc(-c4ccccn4)c3)c2)c2c1ccc1c2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C43H32N4O/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37/h3-28H,1-2H3
InChIKeyWNXNMOOOIUXVMX-UHFFFAOYSA-N
XLogP11.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine
CID 140954813
14,14-dimethyl-21-[3-[3-(1-methylbenzimidazol-2-yl)phenoxy]phenyl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 140953445
[3-(14,14-dimethyl-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140954646
14-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-21,21-dimethyl-10-phenyl-10,14,16-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 140954657
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
13-(3-imidazo[1,2-f]phenanthridin-11-yloxyphenyl)-5,5-dimethyl-12-phenyl-1,8-naphthyridino[2,3-a]carbazole
CID 140951586
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
21-[3-[fluoro-(3-pyridin-2-ylphenyl)methyl]phenyl]-14,14-dimethyl-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 140953933
[3-(14,14-dimethyl-3-thia-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaen-21-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140951658
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
10-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)phenoxy]phenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
CID 118553245
21,21-dimethyl-14-phenyl-10-pyridin-2-yl-7-(3-pyridin-2-ylphenoxy)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953723

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole?
The IUPAC name of 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole (CID 140954421) is 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole.
What is the SMILES notation for 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole?
The canonical SMILES for 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole is CC1(C)c2cccnc2N(c2cccc(Oc3cccc(-c4ccccn4)c3)c2)c2c1ccc1c2c2ccccc2n1-c1ccccc1.
What is the InChIKey of 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole?
The InChIKey is WNXNMOOOIUXVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37/h3-28H,1-2H3.
What are the key properties of 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole?
5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole has a molecular weight of 620.76 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole is sourced from PubChem (CID 140954421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).