9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone

C75H49N5O — CID 160891883

IUPAC9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone
SMILESCC(=O)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1C2
InChIInChI=1S/C38H25N3O.C37H24N2/c1-24(42)39-37-20-18-25(40-33-14-6-2-10-27(33)28-11-3-7-15-34(28)40)22-31(37)32-23-26(19-21-38(32)39)41-35-16-8-4-12-29(35)30-13-5-9-17-36(30)41;1-5-13-34-28(9-1)29-10-2-6-14-35(29)38(34)26-19-17-24-21-25-18-20-27(23-33(25)32(24)22-26)39-36-15-7-3-11-30(36)31-12-4-8-16-37(31)39/h2-23H,1H3;1-20,22-23H,21H2
InChIKeySOJLUSBVFXFZHP-UHFFFAOYSA-N
MW1036.25 g/mol
LogP19.10
Rot. Bonds4

About 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone

9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone (PubChem CID 160891883) has the molecular formula C75H49N5O and a molecular weight of 1036.25 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone.

Molecular Properties

Compound Name9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone
PubChem CID160891883
Molecular FormulaC75H49N5O
Molecular Weight1036.25 g/mol
Exact Mass1035.39
IUPAC Name9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone
SMILESCC(=O)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1C2
InChIInChI=1S/C38H25N3O.C37H24N2/c1-24(42)39-37-20-18-25(40-33-14-6-2-10-27(33)28-11-3-7-15-34(28)40)22-31(37)32-23-26(19-21-38(32)39)41-35-16-8-4-12-29(35)30-13-5-9-17-36(30)41;1-5-13-34-28(9-1)29-10-2-6-14-35(29)38(34)26-19-17-24-21-25-18-20-27(23-33(25)32(24)22-26)39-36-15-7-3-11-30(36)31-12-4-8-16-37(31)39/h2-23H,1H3;1-20,22-23H,21H2
InChIKeySOJLUSBVFXFZHP-UHFFFAOYSA-N
XLogP19.10
TPSA41.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.25
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
1-(3-iodocarbazol-9-yl)ethanone;3-iodo-9H-fluorene;methane
CID 159720979
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
1-(3,6-diiodocarbazol-9-yl)ethanone;3,6-diiodo-9H-fluorene
CID 161428057
1-carbazol-9-ylethanone;ethane
CID 142183368
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163468224
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione
CID 144761612

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone?
The IUPAC name of 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone (CID 160891883) is 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone.
What is the SMILES notation for 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone?
The canonical SMILES for 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone is CC(=O)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1C2.
What is the InChIKey of 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone?
The InChIKey is SOJLUSBVFXFZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O.C37H24N2/c1-24(42)39-37-20-18-25(40-33-14-6-2-10-27(33)28-11-3-7-15-34(28)40)22-31(37)32-23-26(19-21-38(32)39)41-35-16-8-4-12-29(35)30-13-5-9-17-36(30)41;1-5-13-34-28(9-1)29-10-2-6-14-35(29)38(34)26-19-17-24-21-25-18-20-27(23-33(25)32(24)22-26)39-36-15-7-3-11-30(36)31-12-4-8-16-37(31)39/h2-23H,1H3;1-20,22-23H,21H2.
What are the key properties of 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone?
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone has a molecular weight of 1036.25 g/mol, XLogP of 19.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone is sourced from PubChem (CID 160891883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).