9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]

C54H34O — CID 170023018

IUPAC9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc(C2(c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3O4)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H34O/c1-2-17-37(18-3-1)53(45-26-12-7-21-40(45)41-22-8-13-27-46(41)53)44-25-11-6-19-38(44)36-31-33-51-50(34-36)54(49-32-30-35-16-4-5-20-39(35)52(49)55-51)47-28-14-9-23-42(47)43-24-10-15-29-48(43)54/h1-34H
InChIKeyNIKFNNVCSUHRRT-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.34
Rot. Bonds3

About 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]

9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] (PubChem CID 170023018) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene].

Molecular Properties

Compound Name9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
PubChem CID170023018
Molecular FormulaC54H34O
Molecular Weight698.87 g/mol
Exact Mass698.26
IUPAC Name9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc(C2(c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3O4)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H34O/c1-2-17-37(18-3-1)53(45-26-12-7-21-40(45)41-22-8-13-27-46(41)53)44-25-11-6-19-38(44)36-31-33-51-50(34-36)54(49-32-30-35-16-4-5-20-39(35)52(49)55-51)47-28-14-9-23-42(47)43-24-10-15-29-48(43)54/h1-34H
InChIKeyNIKFNNVCSUHRRT-UHFFFAOYSA-N
XLogP13.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170027656
2'-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 170034318
spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 126729461
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
N-(9,9-diphenylfluoren-3-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 135229678
N-(2-phenylphenyl)-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 138568533
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
CID 155054785
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
CID 155054872
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125

Frequently Asked Questions

What is the IUPAC name of 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The IUPAC name of 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] (CID 170023018) is 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene].
What is the SMILES notation for 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The canonical SMILES for 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] is c1ccc(C2(c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3O4)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The InChIKey is NIKFNNVCSUHRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O/c1-2-17-37(18-3-1)53(45-26-12-7-21-40(45)41-22-8-13-27-46(41)53)44-25-11-6-19-38(44)36-31-33-51-50(34-36)54(49-32-30-35-16-4-5-20-39(35)52(49)55-51)47-28-14-9-23-42(47)43-24-10-15-29-48(43)54/h1-34H.
What are the key properties of 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] has a molecular weight of 698.87 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] is sourced from PubChem (CID 170023018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).