2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile

C151H87N31O2S3 — CID 158983004

IUPAC2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)cn1.[C-]#[N+]c1cnc(-c2c(N3c4ccccc4Sc4ccccc43)c(-c3ncc(C#N)cn3)c(N3c4ccccc4Sc4ccccc43)c(-c3ncc(C#N)cn3)c2N2c3ccccc3Sc3ccccc32)nc1.[C-]#[N+]c1cnc(-c2cccc(-c3ncc(C#N)cn3)c2-n2c3ccccc3c3ccccc32)nc1.[C-]#[N+]c1cnc(-c2cccc(-c3ncc(C#N)cn3)c2N2c3ccccc3C(C)(C)c3ccccc32)nc1
InChIInChI=1S/C57H30N12S3.C35H21N5O2.C31H21N7.C28H15N7/c1-60-36-32-65-57(66-33-36)51-53(68-39-16-4-10-22-45(39)71-46-23-11-5-17-40(46)68)49(55-61-28-34(26-58)29-62-55)52(67-37-14-2-8-20-43(37)70-44-21-9-3-15-38(44)67)50(56-63-30-35(27-59)31-64-56)54(51)69-41-18-6-12-24-47(41)72-48-25-13-7-19-42(48)69;36-20-23-21-38-24(22-37-23)35-29(39-25-10-1-5-16-31(25)41-32-17-6-2-11-26(32)39)14-9-15-30(35)40-27-12-3-7-18-33(27)42-34-19-8-4-13-28(34)40;1-31(2)24-11-4-6-13-26(24)38(27-14-7-5-12-25(27)31)28-22(29-34-16-20(15-32)17-35-29)9-8-10-23(28)30-36-18-21(33-3)19-37-30;1-30-19-16-33-28(34-17-19)23-10-6-9-22(27-31-14-18(13-29)15-32-27)26(23)35-24-11-4-2-7-20(24)21-8-3-5-12-25(21)35/h2-25,28-33H;1-19,21-22H;4-14,16-19H,1-2H3;2-12,14-17H
InChIKeyJPFSWBFBNQFSDS-UHFFFAOYSA-N
MW2463.77 g/mol
LogP37.57
Rot. Bonds15

About 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile

2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile (PubChem CID 158983004) has the molecular formula C151H87N31O2S3 and a molecular weight of 2463.77 g/mol. Its IUPAC name is 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile
PubChem CID158983004
Molecular FormulaC151H87N31O2S3
Molecular Weight2463.77 g/mol
Exact Mass2461.68
IUPAC Name2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)cn1.[C-]#[N+]c1cnc(-c2c(N3c4ccccc4Sc4ccccc43)c(-c3ncc(C#N)cn3)c(N3c4ccccc4Sc4ccccc43)c(-c3ncc(C#N)cn3)c2N2c3ccccc3Sc3ccccc32)nc1.[C-]#[N+]c1cnc(-c2cccc(-c3ncc(C#N)cn3)c2-n2c3ccccc3c3ccccc32)nc1.[C-]#[N+]c1cnc(-c2cccc(-c3ncc(C#N)cn3)c2N2c3ccccc3C(C)(C)c3ccccc32)nc1
InChIInChI=1S/C57H30N12S3.C35H21N5O2.C31H21N7.C28H15N7/c1-60-36-32-65-57(66-33-36)51-53(68-39-16-4-10-22-45(39)71-46-23-11-5-17-40(46)68)49(55-61-28-34(26-58)29-62-55)52(67-37-14-2-8-20-43(37)70-44-21-9-3-15-38(44)67)50(56-63-30-35(27-59)31-64-56)54(51)69-41-18-6-12-24-47(41)72-48-25-13-7-19-42(48)69;36-20-23-21-38-24(22-37-23)35-29(39-25-10-1-5-16-31(25)41-32-17-6-2-11-26(32)39)14-9-15-30(35)40-27-12-3-7-18-33(27)42-34-19-8-4-13-28(34)40;1-31(2)24-11-4-6-13-26(24)38(27-14-7-5-12-25(27)31)28-22(29-34-16-20(15-32)17-35-29)9-8-10-23(28)30-36-18-21(33-3)19-37-30;1-30-19-16-33-28(34-17-19)23-10-6-9-22(27-31-14-18(13-29)15-32-27)26(23)35-24-11-4-2-7-20(24)21-8-3-5-12-25(21)35/h2-25,28-33H;1-19,21-22H;4-14,16-19H,1-2H3;2-12,14-17H
InChIKeyJPFSWBFBNQFSDS-UHFFFAOYSA-N
XLogP37.57
TPSA381.10 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds15
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002463.77
LogP ≤ 537.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile with MolForge

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Related Compounds

4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1lambda6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1lambda4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1lambda6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1lambda4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline
CID 158079672
9-[4-Carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine
CID 159440060
10-[4-(3,6-Diphenylcarbazol-9-yl)-6-pyridin-2-ylpyrimidin-2-yl]phenoxazine
CID 117672877
10-[4-(3,6-Diphenylcarbazol-9-yl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]phenoxazine
CID 117672891
10-[4-[5-(1,10-Phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine
CID 117862729
10-[6-[5-[3-(3-Phenylimidazo[4,5-b]pyrazin-5-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-2-pyridinyl]phenoxazine
CID 117862800
10-[5-[3,6-Bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine
CID 121245421
10-[3-[3-Phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148075
10-[3-[3-Phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148240
10-(15-Phenothiazin-10-yl-3,10-diphenyl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
CID 129289388
10-[6,8-Bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129290710
10-[4-Phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290711

Frequently Asked Questions

What is the IUPAC name of 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile?
The IUPAC name of 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile (CID 158983004) is 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile?
The canonical SMILES for 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile is N#Cc1cnc(-c2c(N3c4ccccc4Oc4ccccc43)cccc2N2c3ccccc3Oc3ccccc32)cn1.[C-]#[N+]c1cnc(-c2c(N3c4ccccc4Sc4ccccc43)c(-c3ncc(C#N)cn3)c(N3c4ccccc4Sc4ccccc43)c(-c3ncc(C#N)cn3)c2N2c3ccccc3Sc3ccccc32)nc1.[C-]#[N+]c1cnc(-c2cccc(-c3ncc(C#N)cn3)c2-n2c3ccccc3c3ccccc32)nc1.[C-]#[N+]c1cnc(-c2cccc(-c3ncc(C#N)cn3)c2N2c3ccccc3C(C)(C)c3ccccc32)nc1.
What is the InChIKey of 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile?
The InChIKey is JPFSWBFBNQFSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H30N12S3.C35H21N5O2.C31H21N7.C28H15N7/c1-60-36-32-65-57(66-33-36)51-53(68-39-16-4-10-22-45(39)71-46-23-11-5-17-40(46)68)49(55-61-28-34(26-58)29-62-55)52(67-37-14-2-8-20-43(37)70-44-21-9-3-15-38(44)67)50(56-63-30-35(27-59)31-64-56)54(51)69-41-18-6-12-24-47(41)72-48-25-13-7-19-42(48)69;36-20-23-21-38-24(22-37-23)35-29(39-25-10-1-5-16-31(25)41-32-17-6-2-11-26(32)39)14-9-15-30(35)40-27-12-3-7-18-33(27)42-34-19-8-4-13-28(34)40;1-31(2)24-11-4-6-13-26(24)38(27-14-7-5-12-25(27)31)28-22(29-34-16-20(15-32)17-35-29)9-8-10-23(28)30-36-18-21(33-3)19-37-30;1-30-19-16-33-28(34-17-19)23-10-6-9-22(27-31-14-18(13-29)15-32-27)26(23)35-24-11-4-2-7-20(24)21-8-3-5-12-25(21)35/h2-25,28-33H;1-19,21-22H;4-14,16-19H,1-2H3;2-12,14-17H.
What are the key properties of 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile?
2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile has a molecular weight of 2463.77 g/mol, XLogP of 37.57, 15 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 158983004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).