2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran

C136H85Cl4NO4 — CID 160694898

IUPAC2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5cc(-c6ccc(Cl)cc6)ccc5c4c3)ccc21.CC1(c2ccccc2)c2ccccc2-c2cccc(-c3ccc4oc5c(Cl)cccc5c4c3)c21.Clc1ccc2c(c1)oc1cc(-c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc12.Clc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12
InChIInChI=1S/C37H21ClO.C34H20ClNO.C33H23ClO.C32H21ClO/c38-32-17-8-18-34-36(32)27-21-22(19-20-33(27)39-34)23-12-7-16-31-35(23)26-11-3-6-15-30(26)37(31)28-13-4-1-9-24(28)25-10-2-5-14-29(25)37;35-24-14-17-29-28-16-13-23(19-33(28)37-34(29)20-24)22-12-15-27-26-9-3-4-10-31(26)36(32(27)18-22)30-11-5-7-21-6-1-2-8-25(21)30;1-33(2)29-6-4-3-5-25(29)27-17-21(10-15-30(27)33)22-11-16-31-28(18-22)26-14-9-23(19-32(26)35-31)20-7-12-24(34)13-8-20;1-32(21-9-3-2-4-10-21)27-15-6-5-11-23(27)24-13-7-12-22(30(24)32)20-17-18-29-26(19-20)25-14-8-16-28(33)31(25)34-29/h1-21H;1-20H;3-19H,1-2H3;2-19H,1H3
InChIKeyRPWIMOSPODRINR-UHFFFAOYSA-N
MW1938.99 g/mol
LogP39.53
Rot. Bonds7

About 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran

2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran (PubChem CID 160694898) has the molecular formula C136H85Cl4NO4 and a molecular weight of 1938.99 g/mol. Its IUPAC name is 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran.

Molecular Properties

Compound Name2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
PubChem CID160694898
Molecular FormulaC136H85Cl4NO4
Molecular Weight1938.99 g/mol
Exact Mass1935.52
IUPAC Name2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5cc(-c6ccc(Cl)cc6)ccc5c4c3)ccc21.CC1(c2ccccc2)c2ccccc2-c2cccc(-c3ccc4oc5c(Cl)cccc5c4c3)c21.Clc1ccc2c(c1)oc1cc(-c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc12.Clc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12
InChIInChI=1S/C37H21ClO.C34H20ClNO.C33H23ClO.C32H21ClO/c38-32-17-8-18-34-36(32)27-21-22(19-20-33(27)39-34)23-12-7-16-31-35(23)26-11-3-6-15-30(26)37(31)28-13-4-1-9-24(28)25-10-2-5-14-29(25)37;35-24-14-17-29-28-16-13-23(19-33(28)37-34(29)20-24)22-12-15-27-26-9-3-4-10-31(26)36(32(27)18-22)30-11-5-7-21-6-1-2-8-25(21)30;1-33(2)29-6-4-3-5-25(29)27-17-21(10-15-30(27)33)22-11-16-31-28(18-22)26-14-9-23(19-32(26)35-31)20-7-12-24(34)13-8-20;1-32(21-9-3-2-4-10-21)27-15-6-5-11-23(27)24-13-7-12-22(30(24)32)20-17-18-29-26(19-20)25-14-8-16-28(33)31(25)34-29/h1-21H;1-20H;3-19H,1-2H3;2-19H,1H3
InChIKeyRPWIMOSPODRINR-UHFFFAOYSA-N
XLogP39.53
TPSA57.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001938.99
LogP ≤ 539.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran with MolForge

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Related Compounds

6-chloro-3,3-dimethyl-5-propan-2-yl-2H-1-benzofuran;7-chloro-3-methyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;4-chloro-5-propan-2-yl-1-benzofuran;6-chloro-5-propan-2-yl-1-benzofuran;7-chloro-6-propan-2-yl-1-benzofuran;4-chloro-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-chloro-6-propan-2-yl-2,3-dihydro-1H-indene;4,4-difluoro-6-propan-2-yl-2,3-dihydrochromene;3-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;4-methyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-1H-indole
CID 161197002
15,15-Difluoro-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;15,15-dimethyl-19,23-diphenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;29,29-dimethyl-23-phenyl-4-oxa-23-azaoctacyclo[24.2.1.03,11.05,10.012,28.015,27.016,24.017,22]nonacosa-1,3(11),5,7,9,12(28),13,15(27),16(24),17,19,21,25-tridecaene
CID 162107793
3,6-Bis[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156829
N-[4-(4-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-2-yl-N-[4-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 90376824
7,7-Dimethyl-5-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-9'-ylindeno[2,1-b]carbazole
CID 117893776
3-Dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)carbazole
CID 118098969
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-amine
CID 118148525
15,15-Dimethyl-4-(3-triphenylen-2-ylphenyl)-19-oxa-4-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118891889
4-[3-(3a,10c-Dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-19-oxa-4-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118891890
8,30-Di(dibenzofuran-3-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 122519444
8,30-Di(dibenzofuran-1-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 122519447
8,30-Di(dibenzofuran-2-yl)-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 122519450

Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The IUPAC name of 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran (CID 160694898) is 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran.
What is the SMILES notation for 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The canonical SMILES for 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran is CC1(C)c2ccccc2-c2cc(-c3ccc4oc5cc(-c6ccc(Cl)cc6)ccc5c4c3)ccc21.CC1(c2ccccc2)c2ccccc2-c2cccc(-c3ccc4oc5c(Cl)cccc5c4c3)c21.Clc1ccc2c(c1)oc1cc(-c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)ccc12.Clc1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12.
What is the InChIKey of 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The InChIKey is RPWIMOSPODRINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21ClO.C34H20ClNO.C33H23ClO.C32H21ClO/c38-32-17-8-18-34-36(32)27-21-22(19-20-33(27)39-34)23-12-7-16-31-35(23)26-11-3-6-15-30(26)37(31)28-13-4-1-9-24(28)25-10-2-5-14-29(25)37;35-24-14-17-29-28-16-13-23(19-33(28)37-34(29)20-24)22-12-15-27-26-9-3-4-10-31(26)36(32(27)18-22)30-11-5-7-21-6-1-2-8-25(21)30;1-33(2)29-6-4-3-5-25(29)27-17-21(10-15-30(27)33)22-11-16-31-28(18-22)26-14-9-23(19-32(26)35-31)20-7-12-24(34)13-8-20;1-32(21-9-3-2-4-10-21)27-15-6-5-11-23(27)24-13-7-12-22(30(24)32)20-17-18-29-26(19-20)25-14-8-16-28(33)31(25)34-29/h1-21H;1-20H;3-19H,1-2H3;2-19H,1H3.
What are the key properties of 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran has a molecular weight of 1938.99 g/mol, XLogP of 39.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorodibenzofuran-3-yl)-9-naphthalen-1-ylcarbazole;6-chloro-2-(9-methyl-9-phenylfluoren-1-yl)dibenzofuran;7-(4-chlorophenyl)-2-(9,9-dimethylfluoren-3-yl)dibenzofuran;1-chloro-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran is sourced from PubChem (CID 160694898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).