5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole

C47H29NO — CID 170038082

IUPAC5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc4cc32)cc1
InChIInChI=1S/C47H29NO/c1-2-14-32(15-3-1)48-43-23-10-6-18-36(43)38-29-37-30(28-44(38)48)13-12-19-33(37)31-25-26-46-42(27-31)47(41-22-9-11-24-45(41)49-46)39-20-7-4-16-34(39)35-17-5-8-21-40(35)47/h1-29H
InChIKeyYXELADFQCNFMDJ-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.07
Rot. Bonds2

About 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole

5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole (PubChem CID 170038082) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
PubChem CID170038082
Molecular FormulaC47H29NO
Molecular Weight623.76 g/mol
Exact Mass623.22
IUPAC Name5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc4cc32)cc1
InChIInChI=1S/C47H29NO/c1-2-14-32(15-3-1)48-43-23-10-6-18-36(43)38-29-37-30(28-44(38)48)13-12-19-33(37)31-25-26-46-42(27-31)47(41-22-9-11-24-45(41)49-46)39-20-7-4-16-34(39)35-17-5-8-21-40(35)47/h1-29H
InChIKeyYXELADFQCNFMDJ-UHFFFAOYSA-N
XLogP12.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole
CID 170039037
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
CID 170037998
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole?
The IUPAC name of 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole (CID 170038082) is 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole.
What is the SMILES notation for 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole?
The canonical SMILES for 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc4cc32)cc1.
What is the InChIKey of 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole?
The InChIKey is YXELADFQCNFMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-2-14-32(15-3-1)48-43-23-10-6-18-36(43)38-29-37-30(28-44(38)48)13-12-19-33(37)31-25-26-46-42(27-31)47(41-22-9-11-24-45(41)49-46)39-20-7-4-16-34(39)35-17-5-8-21-40(35)47/h1-29H.
What are the key properties of 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole?
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole has a molecular weight of 623.76 g/mol, XLogP of 12.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole is sourced from PubChem (CID 170038082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).