[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone

C78H50N2O — CID 123664504

IUPAC[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone
SMILESCC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)ccc1-2
InChIInChI=1S/C78H50N2O/c1-46(2)47-31-36-56-57-38-33-48(42-68(57)77(67(56)41-47)64-24-10-3-17-52(64)53-18-4-11-25-65(53)77)76(81)49-32-37-55-54-19-5-12-26-66(54)78(69(55)43-49)70-44-50(79-72-27-13-6-20-60(72)61-21-7-14-28-73(61)79)34-39-58(70)59-40-35-51(45-71(59)78)80-74-29-15-8-22-62(74)63-23-9-16-30-75(63)80/h3-46H,1-2H3
InChIKeySQVPHDSDHOQFFR-UHFFFAOYSA-N
MW1031.27 g/mol
LogP18.92
Rot. Bonds5

About [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone

[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone (PubChem CID 123664504) has the molecular formula C78H50N2O and a molecular weight of 1031.27 g/mol. Its IUPAC name is [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone.

Molecular Properties

Compound Name[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone
PubChem CID123664504
Molecular FormulaC78H50N2O
Molecular Weight1031.27 g/mol
Exact Mass1030.39
IUPAC Name[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone
SMILESCC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)ccc1-2
InChIInChI=1S/C78H50N2O/c1-46(2)47-31-36-56-57-38-33-48(42-68(57)77(67(56)41-47)64-24-10-3-17-52(64)53-18-4-11-25-65(53)77)76(81)49-32-37-55-54-19-5-12-26-66(54)78(69(55)43-49)70-44-50(79-72-27-13-6-20-60(72)61-21-7-14-28-73(61)79)34-39-58(70)59-40-35-51(45-71(59)78)80-74-29-15-8-22-62(74)63-23-9-16-30-75(63)80/h3-46H,1-2H3
InChIKeySQVPHDSDHOQFFR-UHFFFAOYSA-N
XLogP18.92
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.27
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone
CID 58084748
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 88886986
16-[(3E)-hexa-1,3,5-trien-3-yl]-20-(9,9'-spirobi[fluorene]-2-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 142363382
CID 134551673
CID 134551673
CID 134551753
CID 134551753
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373
3-(9-phenylcarbazol-3-yl)-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
CID 122491465
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596
9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 168836616

Frequently Asked Questions

What is the IUPAC name of [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone?
The IUPAC name of [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone (CID 123664504) is [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone.
What is the SMILES notation for [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone?
The canonical SMILES for [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone is CC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)ccc1-2.
What is the InChIKey of [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone?
The InChIKey is SQVPHDSDHOQFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N2O/c1-46(2)47-31-36-56-57-38-33-48(42-68(57)77(67(56)41-47)64-24-10-3-17-52(64)53-18-4-11-25-65(53)77)76(81)49-32-37-55-54-19-5-12-26-66(54)78(69(55)43-49)70-44-50(79-72-27-13-6-20-60(72)61-21-7-14-28-73(61)79)34-39-58(70)59-40-35-51(45-71(59)78)80-74-29-15-8-22-62(74)63-23-9-16-30-75(63)80/h3-46H,1-2H3.
What are the key properties of [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone?
[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone has a molecular weight of 1031.27 g/mol, XLogP of 18.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(7'-propan-2-yl-9,9'-spirobi[fluorene]-2'-yl)methanone is sourced from PubChem (CID 123664504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).