9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine

C43H28N2O — CID 169305047

IUPAC9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c32)cc1
InChIInChI=1S/C43H28N2O/c1-2-14-28(15-3-1)45-38-25-9-5-16-29(38)30-18-12-24-37(42(30)45)44-36-23-13-22-35-41(36)31-17-4-6-19-32(31)43(35)33-20-7-10-26-39(33)46-40-27-11-8-21-34(40)43/h1-27,44H
InChIKeyKNCOAQXYELFROT-UHFFFAOYSA-N
MW588.71 g/mol
LogP11.00
Rot. Bonds3

About 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine

9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine (PubChem CID 169305047) 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]-4-ylcarbazol-1-amine.

Molecular Properties

Compound Name9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine
PubChem CID169305047
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c32)cc1
InChIInChI=1S/C43H28N2O/c1-2-14-28(15-3-1)45-38-25-9-5-16-29(38)30-18-12-24-37(42(30)45)44-36-23-13-22-35-41(36)31-17-4-6-19-32(31)43(35)33-20-7-10-26-39(33)46-40-27-11-8-21-34(40)43/h1-27,44H
InChIKeyKNCOAQXYELFROT-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

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
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 146332882
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 170936096
1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole
CID 118698619
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine
CID 169305049
9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 154624198
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[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 163986204
12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 156559750

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine?
The IUPAC name of 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine (CID 169305047) is 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine.
What is the SMILES notation for 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine?
The canonical SMILES for 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine is c1ccc(-n2c3ccccc3c3cccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c32)cc1.
What is the InChIKey of 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine?
The InChIKey is KNCOAQXYELFROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-2-14-28(15-3-1)45-38-25-9-5-16-29(38)30-18-12-24-37(42(30)45)44-36-23-13-22-35-41(36)31-17-4-6-19-32(31)43(35)33-20-7-10-26-39(33)46-40-27-11-8-21-34(40)43/h1-27,44H.
What are the key properties of 9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine?
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-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]-4-ylcarbazol-1-amine is sourced from PubChem (CID 169305047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).