9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine

C47H30N2O — CID 170936096

IUPAC9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(Nc4cccc5c4-c4c(ccc6ccccc46)C54c5ccccc5Oc5ccccc54)ccc32)cc1
InChIInChI=1S/C47H30N2O/c1-2-14-32(15-3-1)49-41-22-9-6-17-34(41)35-29-31(26-28-42(35)49)48-40-21-12-20-38-46(40)45-33-16-5-4-13-30(33)25-27-39(45)47(38)36-18-7-10-23-43(36)50-44-24-11-8-19-37(44)47/h1-29,48H
InChIKeyNJYPMXGJLMNXIS-UHFFFAOYSA-N
MW638.77 g/mol
LogP12.15
Rot. Bonds3

About 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine

9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine (PubChem CID 170936096) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
PubChem CID170936096
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC Name9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(Nc4cccc5c4-c4c(ccc6ccccc46)C54c5ccccc5Oc5ccccc54)ccc32)cc1
InChIInChI=1S/C47H30N2O/c1-2-14-32(15-3-1)49-41-22-9-6-17-34(41)35-29-31(26-28-42(35)49)48-40-21-12-20-38-46(40)45-33-16-5-4-13-30(33)25-27-39(45)47(38)36-18-7-10-23-43(36)50-44-24-11-8-19-37(44)47/h1-29,48H
InChIKeyNJYPMXGJLMNXIS-UHFFFAOYSA-N
XLogP12.15
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 512.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
CID 146332882
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 164730877
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine
CID 169305047
9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-2-amine
CID 169305049
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
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
ethane;N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 144861482
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenylcarbazol-3-amine;N-(4-naphthalen-1-ylnaphthalen-1-yl)-9-phenylcarbazol-3-amine;N-(5-naphthalen-1-ylnaphthalen-1-yl)-9-phenylcarbazol-3-amine;N-(6-naphthalen-1-ylnaphthalen-2-yl)-9-phenylcarbazol-3-amine;N-(7'-naphthalen-1-yl-9,9'-spirobi[fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 158943962
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine (CID 170936096) is 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(Nc4cccc5c4-c4c(ccc6ccccc46)C54c5ccccc5Oc5ccccc54)ccc32)cc1.
What is the InChIKey of 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine?
The InChIKey is NJYPMXGJLMNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-2-14-32(15-3-1)49-41-22-9-6-17-34(41)35-29-31(26-28-42(35)49)48-40-21-12-20-38-46(40)45-33-16-5-4-13-30(33)25-27-39(45)47(38)36-18-7-10-23-43(36)50-44-24-11-8-19-37(44)47/h1-29,48H.
What are the key properties of 9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine?
9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine has a molecular weight of 638.77 g/mol, XLogP of 12.15, 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[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine is sourced from PubChem (CID 170936096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).