9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine

C59H38N2O — CID 164730871

IUPAC9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c-4ccc4ccccc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H38N2O/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)60(44-33-36-55-50(37-44)48-21-9-12-24-54(48)61(55)42-18-5-2-6-19-42)45-32-35-47-49-34-29-41-17-7-8-20-46(41)58(49)59(53(47)38-45)51-22-10-13-25-56(51)62-57-26-14-11-23-52(57)59/h1-38H
InChIKeyVJEOLVMWWVNMOU-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.54
Rot. Bonds5

About 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine

9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine (PubChem CID 164730871) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
PubChem CID164730871
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c-4ccc4ccccc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H38N2O/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)60(44-33-36-55-50(37-44)48-21-9-12-24-54(48)61(55)42-18-5-2-6-19-42)45-32-35-47-49-34-29-41-17-7-8-20-46(41)58(49)59(53(47)38-45)51-22-10-13-25-56(51)62-57-26-14-11-23-52(57)59/h1-38H
InChIKeyVJEOLVMWWVNMOU-UHFFFAOYSA-N
XLogP15.54
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
9-phenyl-N-(4-phenylphenyl)-N-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylcarbazol-3-amine
CID 135229858
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 164730877
N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629784
N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 168811930
7-N',7-N',17-N',17-N'-tetrakis(9-phenylcarbazol-3-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137493597
N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
CID 167036355
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(3,5-diphenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;methane;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 157427313

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine (CID 164730871) is 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3c-4ccc4ccccc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine?
The InChIKey is VJEOLVMWWVNMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)60(44-33-36-55-50(37-44)48-21-9-12-24-54(48)61(55)42-18-5-2-6-19-42)45-32-35-47-49-34-29-41-17-7-8-20-46(41)58(49)59(53(47)38-45)51-22-10-13-25-56(51)62-57-26-14-11-23-52(57)59/h1-38H.
What are the key properties of 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine?
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine has a molecular weight of 790.97 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine is sourced from PubChem (CID 164730871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).