12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C117H81N3O3 — CID 159143248

IUPAC12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)ccc21.CC1(C)c2ccccc2-c2cccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)c21
InChIInChI=1S/3C39H27NO/c1-39(2)31-15-6-3-10-27(31)28-14-9-13-26(38(28)39)24-18-20-25(21-19-24)40-32-16-7-4-11-29(32)36-33(40)22-23-35-37(36)30-12-5-8-17-34(30)41-35;1-39(2)32-12-6-3-9-27(32)31-23-25(17-21-33(31)39)24-15-18-26(19-16-24)40-34-13-7-4-10-28(34)29-20-22-36-37(38(29)40)30-11-5-8-14-35(30)41-36;1-39(2)33-12-6-3-9-27(33)30-21-25(17-20-34(30)39)24-15-18-26(19-16-24)40-35-13-7-4-10-28(35)31-22-32-29-11-5-8-14-37(29)41-38(32)23-36(31)40/h3*3-23H,1-2H3
InChIKeyKIIWWYHGVDSRRV-UHFFFAOYSA-N
MW1576.95 g/mol
LogP31.97
Rot. Bonds6

About 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159143248) has the molecular formula C117H81N3O3 and a molecular weight of 1576.95 g/mol. Its IUPAC name is 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID159143248
Molecular FormulaC117H81N3O3
Molecular Weight1576.95 g/mol
Exact Mass1575.63
IUPAC Name12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)ccc21.CC1(C)c2ccccc2-c2cccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)c21
InChIInChI=1S/3C39H27NO/c1-39(2)31-15-6-3-10-27(31)28-14-9-13-26(38(28)39)24-18-20-25(21-19-24)40-32-16-7-4-11-29(32)36-33(40)22-23-35-37(36)30-12-5-8-17-34(30)41-35;1-39(2)32-12-6-3-9-27(32)31-23-25(17-21-33(31)39)24-15-18-26(19-16-24)40-34-13-7-4-10-28(34)29-20-22-36-37(38(29)40)30-11-5-8-14-35(30)41-36;1-39(2)33-12-6-3-9-27(33)30-21-25(17-20-34(30)39)24-15-18-26(19-16-24)40-35-13-7-4-10-28(35)31-22-32-29-11-5-8-14-37(29)41-38(32)23-36(31)40/h3*3-23H,1-2H3
InChIKeyKIIWWYHGVDSRRV-UHFFFAOYSA-N
XLogP31.97
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001576.95
LogP ≤ 531.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550
17,21-bis(9,9-dimethylfluoren-3-yl)-8,30-dioxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.07,15.09,14.022,34.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(15),9,11,13,18,22(34),23(31),24,26,28,32-pentadecaene
CID 163417489
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405465
9-dibenzofuran-2-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzofuran-2-yl-7,7-dimethylindeno[1,2-a]carbazole;5-dibenzofuran-2-yl-7,7-dimethylindeno[2,1-b]carbazole;5-dibenzofuran-2-yl-12,12-dimethylindeno[1,2-c]carbazole
CID 159024447
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;14-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163511176
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 160655855
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
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2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159143248) is 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)ccc21.CC1(C)c2ccccc2-c2cccc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)c21.
What is the InChIKey of 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is KIIWWYHGVDSRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C39H27NO/c1-39(2)31-15-6-3-10-27(31)28-14-9-13-26(38(28)39)24-18-20-25(21-19-24)40-32-16-7-4-11-29(32)36-33(40)22-23-35-37(36)30-12-5-8-17-34(30)41-35;1-39(2)32-12-6-3-9-27(32)31-23-25(17-21-33(31)39)24-15-18-26(19-16-24)40-34-13-7-4-10-28(34)29-20-22-36-37(38(29)40)30-11-5-8-14-35(30)41-36;1-39(2)33-12-6-3-9-27(33)30-21-25(17-20-34(30)39)24-15-18-26(19-16-24)40-35-13-7-4-10-28(35)31-22-32-29-11-5-8-14-37(29)41-38(32)23-36(31)40/h3*3-23H,1-2H3.
What are the key properties of 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1576.95 g/mol, XLogP of 31.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159143248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).