[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone

C75H46N2O2 — CID 58084748

IUPAC[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3cc(C(=O)c4ccc(-c5ccccc5)cc4)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C75H46N2O2/c78-73(51-31-27-49(28-32-51)47-15-3-1-4-16-47)53-35-39-57-58-40-36-54(74(79)52-33-29-50(30-34-52)48-17-5-2-6-18-48)44-66(58)75(65(57)43-53)67-45-55(76-69-23-11-7-19-61(69)62-20-8-12-24-70(62)76)37-41-59(67)60-42-38-56(46-68(60)75)77-71-25-13-9-21-63(71)64-22-10-14-26-72(64)77/h1-46H
InChIKeyUCNLFXAPCXHBNS-UHFFFAOYSA-N
MW1007.21 g/mol
LogP18.02
Rot. Bonds8

About [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone

[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone (PubChem CID 58084748) has the molecular formula C75H46N2O2 and a molecular weight of 1007.21 g/mol. Its IUPAC name is [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone
PubChem CID58084748
Molecular FormulaC75H46N2O2
Molecular Weight1007.21 g/mol
Exact Mass1006.36
IUPAC Name[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3cc(C(=O)c4ccc(-c5ccccc5)cc4)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C75H46N2O2/c78-73(51-31-27-49(28-32-51)47-15-3-1-4-16-47)53-35-39-57-58-40-36-54(74(79)52-33-29-50(30-34-52)48-17-5-2-6-18-48)44-66(58)75(65(57)43-53)67-45-55(76-69-23-11-7-19-61(69)62-20-8-12-24-70(62)76)37-41-59(67)60-42-38-56(46-68(60)75)77-71-25-13-9-21-63(71)64-22-10-14-26-72(64)77/h1-46H
InChIKeyUCNLFXAPCXHBNS-UHFFFAOYSA-N
XLogP18.02
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.21
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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
9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88887022
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
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
(4-methylphenyl)-[11,11,12,12-tetramethyl-2-(4-methylbenzoyl)indeno[2,1-a]fluoren-9-yl]methanone;5-phenyl-11-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]indolo[3,2-b]carbazole;(2-phenylphenyl)-[11,11,12,12-tetramethyl-2-(2-phenylbenzoyl)indeno[2,1-a]fluoren-9-yl]methanone;(2-phenylphenyl)-[6,6,12,12-tetramethyl-2-(2-phenylbenzoyl)indeno[1,2-b]fluoren-8-yl]methanone
CID 159548823
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
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)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone (CID 58084748) is [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3cc(C(=O)c4ccc(-c5ccccc5)cc4)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone?
The InChIKey is UCNLFXAPCXHBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N2O2/c78-73(51-31-27-49(28-32-51)47-15-3-1-4-16-47)53-35-39-57-58-40-36-54(74(79)52-33-29-50(30-34-52)48-17-5-2-6-18-48)44-66(58)75(65(57)43-53)67-45-55(76-69-23-11-7-19-61(69)62-20-8-12-24-70(62)76)37-41-59(67)60-42-38-56(46-68(60)75)77-71-25-13-9-21-63(71)64-22-10-14-26-72(64)77/h1-46H.
What are the key properties of [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone?
[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone has a molecular weight of 1007.21 g/mol, XLogP of 18.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 58084748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).