9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole

C62H43NO — CID 166877562

IUPAC9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole
SMILESc1ccc(-c2ccccc2C(CCc2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2c-3ccc3ccccc23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C62H43NO/c1-3-17-42(18-4-1)46-22-9-10-24-49(46)47(44-34-38-58-53(40-44)51-25-11-14-28-57(51)63(58)45-20-5-2-6-21-45)35-31-41-32-36-50-52-37-33-43-19-7-8-23-48(43)61(52)62(56(50)39-41)54-26-12-15-29-59(54)64-60-30-16-13-27-55(60)62/h1-30,32-34,36-40,47H,31,35H2
InChIKeyYSQVYCSSEDXDHZ-UHFFFAOYSA-N
MW818.03 g/mol
LogP15.84
Rot. Bonds7

About 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole

9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole (PubChem CID 166877562) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole
PubChem CID166877562
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC Name9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole
SMILESc1ccc(-c2ccccc2C(CCc2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2c-3ccc3ccccc23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C62H43NO/c1-3-17-42(18-4-1)46-22-9-10-24-49(46)47(44-34-38-58-53(40-44)51-25-11-14-28-57(51)63(58)45-20-5-2-6-21-45)35-31-41-32-36-50-52-37-33-43-19-7-8-23-48(43)61(52)62(56(50)39-41)54-26-12-15-29-59(54)64-60-30-16-13-27-55(60)62/h1-30,32-34,36-40,47H,31,35H2
InChIKeyYSQVYCSSEDXDHZ-UHFFFAOYSA-N
XLogP15.84
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.03
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
CID 164730871
9-[4-[4-[3-(9,9-diphenylfluoren-2-yl)-3-(2-phenylphenyl)propyl]phenyl]phenyl]carbazole
CID 156568564
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
CID 166895590
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
CID 170240605
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole?
The IUPAC name of 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole (CID 166877562) is 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole?
The canonical SMILES for 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole is c1ccc(-c2ccccc2C(CCc2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2c-3ccc3ccccc23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole?
The InChIKey is YSQVYCSSEDXDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-3-17-42(18-4-1)46-22-9-10-24-49(46)47(44-34-38-58-53(40-44)51-25-11-14-28-57(51)63(58)45-20-5-2-6-21-45)35-31-41-32-36-50-52-37-33-43-19-7-8-23-48(43)61(52)62(56(50)39-41)54-26-12-15-29-59(54)64-60-30-16-13-27-55(60)62/h1-30,32-34,36-40,47H,31,35H2.
What are the key properties of 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole?
9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole has a molecular weight of 818.03 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole is sourced from PubChem (CID 166877562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).