9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene

C50H32O — CID 170017230

IUPAC9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc32)cc1
InChIInChI=1S/C50H32O/c1-3-16-34(17-4-1)49(35-18-5-2-6-19-35)43-27-13-14-29-46(43)51-47-31-30-33(32-45(47)49)36-23-15-28-44-48(36)39-22-9-12-26-42(39)50(44)40-24-10-7-20-37(40)38-21-8-11-25-41(38)50/h1-32H
InChIKeyPPJRCNHYIUTPOS-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.19
Rot. Bonds3

About 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene

9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene (PubChem CID 170017230) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene.

Molecular Properties

Compound Name9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
PubChem CID170017230
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc32)cc1
InChIInChI=1S/C50H32O/c1-3-16-34(17-4-1)49(35-18-5-2-6-19-35)43-27-13-14-29-46(43)51-47-31-30-33(32-45(47)49)36-23-15-28-44-48(36)39-22-9-12-26-42(39)50(44)40-24-10-7-20-37(40)38-21-8-11-25-41(38)50/h1-32H
InChIKeyPPJRCNHYIUTPOS-UHFFFAOYSA-N
XLogP12.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464
2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]
CID 170037301
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
2'-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037300
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475861
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene?
The IUPAC name of 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene (CID 170017230) is 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene.
What is the SMILES notation for 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene?
The canonical SMILES for 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc32)cc1.
What is the InChIKey of 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene?
The InChIKey is PPJRCNHYIUTPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-3-16-34(17-4-1)49(35-18-5-2-6-19-35)43-27-13-14-29-46(43)51-47-31-30-33(32-45(47)49)36-23-15-28-44-48(36)39-22-9-12-26-42(39)50(44)40-24-10-7-20-37(40)38-21-8-11-25-41(38)50/h1-32H.
What are the key properties of 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene?
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene has a molecular weight of 648.81 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene is sourced from PubChem (CID 170017230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).