9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine

C43H28N2O — CID 169305049

IUPAC9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(Nc4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C43H28N2O/c1-2-12-30(13-3-1)45-39-19-9-5-15-33(39)34-25-23-29(27-40(34)45)44-28-22-24-32-31-14-4-6-16-35(31)43(38(32)26-28)36-17-7-10-20-41(36)46-42-21-11-8-18-37(42)43/h1-27,44H
InChIKeyZRMKDLQKKCRJAT-UHFFFAOYSA-N
MW588.71 g/mol
LogP11.00
Rot. Bonds3

About 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine

9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine (PubChem CID 169305049) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine
PubChem CID169305049
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(Nc4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C43H28N2O/c1-2-12-30(13-3-1)45-39-19-9-5-15-33(39)34-25-23-29(27-40(34)45)44-28-22-24-32-31-14-4-6-16-35(31)43(38(32)26-28)36-17-7-10-20-41(36)46-42-21-11-8-18-37(42)43/h1-27,44H
InChIKeyZRMKDLQKKCRJAT-UHFFFAOYSA-N
XLogP11.00
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 511.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
CID 138477473
9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
CID 170240605
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine?
The IUPAC name of 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine (CID 169305049) is 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine?
The canonical SMILES for 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(Nc4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc32)cc1.
What is the InChIKey of 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine?
The InChIKey is ZRMKDLQKKCRJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-2-12-30(13-3-1)45-39-19-9-5-15-33(39)34-25-23-29(27-40(34)45)44-28-22-24-32-31-14-4-6-16-35(31)43(38(32)26-28)36-17-7-10-20-41(36)46-42-21-11-8-18-37(42)43/h1-27,44H.
What are the key properties of 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine?
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine has a molecular weight of 588.71 g/mol, XLogP of 11.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine is sourced from PubChem (CID 169305049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).