3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione

C152H86F3N5O16 — CID 165053266

IUPAC3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione
SMILESCC(C)(C)c1ccc2c(=O)c3cc4c(=O)c5cccc(-n6c7ccccc7c7ccccc76)c5oc4cc3oc2c1.N#Cc1ccc2c(=O)c3cc4c(=O)c5cccc(-n6c7ccccc7c7ccccc76)c5oc4cc3oc2c1.O=c1c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2oc2cc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c(=O)c3cc12.O=c1c2ccc(C(F)(F)F)cc2oc2cc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c(=O)c3cc12
InChIInChI=1S/C50H29NO4.C36H25NO4.C33H16F3NO4.C33H16N2O4/c52-48-37-26-25-32(47-33(30-13-3-1-4-14-30)19-11-20-34(47)31-15-5-2-6-16-31)27-44(37)54-45-29-46-40(28-39(45)48)49(53)38-21-12-24-43(50(38)55-46)51-41-22-9-7-17-35(41)36-18-8-10-23-42(36)51;1-36(2,3)20-15-16-23-30(17-20)40-31-19-32-26(18-25(31)33(23)38)34(39)24-11-8-14-29(35(24)41-32)37-27-12-6-4-9-21(27)22-10-5-7-13-28(22)37;34-33(35,36)17-12-13-20-27(14-17)40-28-16-29-23(15-22(28)30(20)38)31(39)21-8-5-11-26(32(21)41-29)37-24-9-3-1-6-18(24)19-7-2-4-10-25(19)37;34-17-18-12-13-21-28(14-18)38-29-16-30-24(15-23(29)31(21)36)32(37)22-8-5-11-27(33(22)39-30)35-25-9-3-1-6-19(25)20-7-2-4-10-26(20)35/h1-29H;4-19H,1-3H3;1-16H;1-16H
InChIKeyPZSFDOUTGFXIQX-UHFFFAOYSA-N
MW2295.37 g/mol
LogP36.40
Rot. Bonds7

About 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione

3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione (PubChem CID 165053266) has the molecular formula C152H86F3N5O16 and a molecular weight of 2295.37 g/mol. Its IUPAC name is 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione.

Molecular Properties

Compound Name3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione
PubChem CID165053266
Molecular FormulaC152H86F3N5O16
Molecular Weight2295.37 g/mol
Exact Mass2293.60
IUPAC Name3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione
SMILESCC(C)(C)c1ccc2c(=O)c3cc4c(=O)c5cccc(-n6c7ccccc7c7ccccc76)c5oc4cc3oc2c1.N#Cc1ccc2c(=O)c3cc4c(=O)c5cccc(-n6c7ccccc7c7ccccc76)c5oc4cc3oc2c1.O=c1c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2oc2cc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c(=O)c3cc12.O=c1c2ccc(C(F)(F)F)cc2oc2cc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c(=O)c3cc12
InChIInChI=1S/C50H29NO4.C36H25NO4.C33H16F3NO4.C33H16N2O4/c52-48-37-26-25-32(47-33(30-13-3-1-4-14-30)19-11-20-34(47)31-15-5-2-6-16-31)27-44(37)54-45-29-46-40(28-39(45)48)49(53)38-21-12-24-43(50(38)55-46)51-41-22-9-7-17-35(41)36-18-8-10-23-42(36)51;1-36(2,3)20-15-16-23-30(17-20)40-31-19-32-26(18-25(31)33(23)38)34(39)24-11-8-14-29(35(24)41-32)37-27-12-6-4-9-21(27)22-10-5-7-13-28(22)37;34-33(35,36)17-12-13-20-27(14-17)40-28-16-29-23(15-22(28)30(20)38)31(39)21-8-5-11-26(32(21)41-29)37-24-9-3-1-6-18(24)19-7-2-4-10-25(19)37;34-17-18-12-13-21-28(14-18)38-29-16-30-24(15-23(29)31(21)36)32(37)22-8-5-11-27(33(22)39-30)35-25-9-3-1-6-19(25)20-7-2-4-10-26(20)35/h1-29H;4-19H,1-3H3;1-16H;1-16H
InChIKeyPZSFDOUTGFXIQX-UHFFFAOYSA-N
XLogP36.40
TPSA285.19 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002295.37
LogP ≤ 536.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione with MolForge

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Related Compounds

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3-[4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-tert-butylcarbazol-9-yl)phenyl]-4-(3-tert-butylcarbazol-9-yl)benzonitrile
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CID 149059833
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(trifluoromethyl)phenyl]benzonitrile
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4-carbazol-9-yl-3-[2-carbazol-9-yl-4-(trifluoromethyl)phenyl]benzonitrile
CID 139526319
4-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
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3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377959
4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765230
4-[4-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 147357350
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione?
The IUPAC name of 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione (CID 165053266) is 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione.
What is the SMILES notation for 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione?
The canonical SMILES for 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione is CC(C)(C)c1ccc2c(=O)c3cc4c(=O)c5cccc(-n6c7ccccc7c7ccccc76)c5oc4cc3oc2c1.N#Cc1ccc2c(=O)c3cc4c(=O)c5cccc(-n6c7ccccc7c7ccccc76)c5oc4cc3oc2c1.O=c1c2ccc(-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2oc2cc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c(=O)c3cc12.O=c1c2ccc(C(F)(F)F)cc2oc2cc3oc4c(-n5c6ccccc6c6ccccc65)cccc4c(=O)c3cc12.
What is the InChIKey of 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione?
The InChIKey is PZSFDOUTGFXIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NO4.C36H25NO4.C33H16F3NO4.C33H16N2O4/c52-48-37-26-25-32(47-33(30-13-3-1-4-14-30)19-11-20-34(47)31-15-5-2-6-16-31)27-44(37)54-45-29-46-40(28-39(45)48)49(53)38-21-12-24-43(50(38)55-46)51-41-22-9-7-17-35(41)36-18-8-10-23-42(36)51;1-36(2,3)20-15-16-23-30(17-20)40-31-19-32-26(18-25(31)33(23)38)34(39)24-11-8-14-29(35(24)41-32)37-27-12-6-4-9-21(27)22-10-5-7-13-28(22)37;34-33(35,36)17-12-13-20-27(14-17)40-28-16-29-23(15-22(28)30(20)38)31(39)21-8-5-11-26(32(21)41-29)37-24-9-3-1-6-18(24)19-7-2-4-10-25(19)37;34-17-18-12-13-21-28(14-18)38-29-16-30-24(15-23(29)31(21)36)32(37)22-8-5-11-27(33(22)39-30)35-25-9-3-1-6-19(25)20-7-2-4-10-26(20)35/h1-29H;4-19H,1-3H3;1-16H;1-16H.
What are the key properties of 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione?
3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione has a molecular weight of 2295.37 g/mol, XLogP of 36.40, 7 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-carbazol-9-ylchromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-3-carbonitrile;8-carbazol-9-yl-3-(2,6-diphenylphenyl)chromeno[3,2-b]xanthene-12,14-dione;8-carbazol-9-yl-3-(trifluoromethyl)chromeno[3,2-b]xanthene-12,14-dione is sourced from PubChem (CID 165053266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).