9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole

C148H92N4O8 — CID 163645118

IUPAC9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2c(-n3c4ccccc4c4ccccc43)cccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2cccc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/4C37H23NO2/c1-6-18-30-24(12-1)25-13-2-7-19-31(25)38(30)32-20-11-17-29-36(32)40-35-23-10-5-16-28(35)37(29)26-14-3-8-21-33(26)39-34-22-9-4-15-27(34)37;1-6-17-29-24(12-1)25-13-2-7-18-30(25)38(29)31-19-11-23-35-36(31)37(28-16-5-10-22-34(28)40-35)26-14-3-8-20-32(26)39-33-21-9-4-15-27(33)37;1-6-16-31-25(11-1)26-12-2-7-17-32(26)38(31)24-21-22-36-30(23-24)37(29-15-5-10-20-35(29)40-36)27-13-3-8-18-33(27)39-34-19-9-4-14-28(34)37;1-6-16-31-25(11-1)26-12-2-7-17-32(26)38(31)24-21-22-30-36(23-24)40-35-20-10-5-15-29(35)37(30)27-13-3-8-18-33(27)39-34-19-9-4-14-28(34)37/h4*1-23H
InChIKeyIHOYWSWABVTNMV-UHFFFAOYSA-N
MW2054.38 g/mol
LogP37.51
Rot. Bonds4

About 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole

9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole (PubChem CID 163645118) has the molecular formula C148H92N4O8 and a molecular weight of 2054.38 g/mol. Its IUPAC name is 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole.

Molecular Properties

Compound Name9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole
PubChem CID163645118
Molecular FormulaC148H92N4O8
Molecular Weight2054.38 g/mol
Exact Mass2052.69
IUPAC Name9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2c(-n3c4ccccc4c4ccccc43)cccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2cccc(-n3c4ccccc4c4ccccc43)c21
InChIInChI=1S/4C37H23NO2/c1-6-18-30-24(12-1)25-13-2-7-19-31(25)38(30)32-20-11-17-29-36(32)40-35-23-10-5-16-28(35)37(29)26-14-3-8-21-33(26)39-34-22-9-4-15-27(34)37;1-6-17-29-24(12-1)25-13-2-7-18-30(25)38(29)31-19-11-23-35-36(31)37(28-16-5-10-22-34(28)40-35)26-14-3-8-20-32(26)39-33-21-9-4-15-27(33)37;1-6-16-31-25(11-1)26-12-2-7-17-32(26)38(31)24-21-22-36-30(23-24)37(29-15-5-10-20-35(29)40-36)27-13-3-8-18-33(27)39-34-19-9-4-14-28(34)37;1-6-16-31-25(11-1)26-12-2-7-17-32(26)38(31)24-21-22-30-36(23-24)40-35-20-10-5-15-29(35)37(30)27-13-3-8-18-33(27)39-34-19-9-4-14-28(34)37/h4*1-23H
InChIKeyIHOYWSWABVTNMV-UHFFFAOYSA-N
XLogP37.51
TPSA93.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002054.38
LogP ≤ 537.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole with MolForge

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Related Compounds

11-[3-(8,14-Dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 129289222
CID 163664162
CID 163664162
SFX-TCz
CID 132604179
9,19-Bis(3,5-di-t-butylphenyl)-5,15-diethyl-5,15-dihydrocarbazolo[3',4':5,6][1,4]oxazino[2,3-b]indolo[3,2-h]phenoxazine
CID 162417804
4,4'-(5,15-diethyl-5,15-dihydrocarbazolo[3',4':5,6][1,4]oxazino[2,3-b]indolo[3,2-h]phenoxazine-9,19-diyl)bis(N,N-diphenylaniline)
CID 171714766
9-(7'-carbazol-9-yl-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-7-yl)carbazole
CID 57976885
9-(6'-carbazol-9-yl-4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6-yl)carbazole
CID 57976970
9-[6'-(3,6-dimethylcarbazol-9-yl)-4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6-yl]-3,6-dimethylcarbazole
CID 57977020
9-(7'-carbazol-9-yl-4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7-yl)carbazole
CID 57977032
10-Phenyl-3-[5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-12-yl]phenoxazine
CID 58029109
10-Phenyl-3-[12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine
CID 58029126
3,6-Ditert-butyl-9-[3',6,6'-tris(3,6-ditert-butylcarbazol-9-yl)-9,9'-spirobi[xanthene]-3-yl]carbazole
CID 58435308

Frequently Asked Questions

What is the IUPAC name of 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole?
The IUPAC name of 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole (CID 163645118) is 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole.
What is the SMILES notation for 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole?
The canonical SMILES for 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2c(-n3c4ccccc4c4ccccc43)cccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2ccc(-n3c4ccccc4c4ccccc43)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2cccc(-n3c4ccccc4c4ccccc43)c21.
What is the InChIKey of 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole?
The InChIKey is IHOYWSWABVTNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C37H23NO2/c1-6-18-30-24(12-1)25-13-2-7-19-31(25)38(30)32-20-11-17-29-36(32)40-35-23-10-5-16-28(35)37(29)26-14-3-8-21-33(26)39-34-22-9-4-15-27(34)37;1-6-17-29-24(12-1)25-13-2-7-18-30(25)38(29)31-19-11-23-35-36(31)37(28-16-5-10-22-34(28)40-35)26-14-3-8-20-32(26)39-33-21-9-4-15-27(33)37;1-6-16-31-25(11-1)26-12-2-7-17-32(26)38(31)24-21-22-36-30(23-24)37(29-15-5-10-20-35(29)40-36)27-13-3-8-18-33(27)39-34-19-9-4-14-28(34)37;1-6-16-31-25(11-1)26-12-2-7-17-32(26)38(31)24-21-22-30-36(23-24)40-35-20-10-5-15-29(35)37(30)27-13-3-8-18-33(27)39-34-19-9-4-14-28(34)37/h4*1-23H.
What are the key properties of 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole?
9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole has a molecular weight of 2054.38 g/mol, XLogP of 37.51, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9'-spirobi[xanthene]-1'-yl)carbazole;9-(9,9'-spirobi[xanthene]-2-yl)carbazole;9-(9,9'-spirobi[xanthene]-3-yl)carbazole;9-(9,9'-spirobi[xanthene]-4-yl)carbazole is sourced from PubChem (CID 163645118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).