2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine

C265H180N10O5 — CID 157359395

IUPAC2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3cc(N(c4ccccc4)c4ccccc4)ccc3Oc3cc4ccccc4cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4O3)c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4ccccc4cc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4ccccc4cc2C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/5C53H36N2O/c1-5-20-39(21-6-1)54(40-22-7-2-8-23-40)43-32-33-46-51(36-43)56-50-35-38-19-14-13-18-37(38)34-48(50)53(46)45-29-16-15-28-44(45)52-47(53)30-17-31-49(52)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-5-20-39(21-6-1)54(40-22-7-2-8-23-40)43-32-33-50-48(36-43)53(47-34-37-18-13-14-19-38(37)35-51(47)56-50)45-29-16-15-28-44(45)52-46(53)30-17-31-49(52)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-48-46(35-43)45-27-15-16-28-47(45)53(48)49-33-37-17-13-14-18-38(37)34-52(49)56-51-32-30-44(36-50(51)53)55(41-23-9-3-10-24-41)42-25-11-4-12-26-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-46-45-27-15-16-28-47(45)53(48(46)35-43)49-33-37-17-13-14-18-38(37)34-52(49)56-51-32-30-44(36-50(51)53)55(41-23-9-3-10-24-41)42-25-11-4-12-26-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-46-45-27-15-16-28-47(45)53(49(46)35-43)48-32-30-44(55(41-23-9-3-10-24-41)42-25-11-4-12-26-42)36-52(48)56-51-34-38-18-14-13-17-37(38)33-50(51)53/h5*1-36H
InChIKeyBILMRPVZWPPXGI-UHFFFAOYSA-N
MW3584.42 g/mol
LogP71.24
Rot. Bonds30

About 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine

2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine (PubChem CID 157359395) has the molecular formula C265H180N10O5 and a molecular weight of 3584.42 g/mol. Its IUPAC name is 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine.

Molecular Properties

Compound Name2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine
PubChem CID157359395
Molecular FormulaC265H180N10O5
Molecular Weight3584.42 g/mol
Exact Mass3581.41
IUPAC Name2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3cc(N(c4ccccc4)c4ccccc4)ccc3Oc3cc4ccccc4cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4O3)c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4ccccc4cc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4ccccc4cc2C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/5C53H36N2O/c1-5-20-39(21-6-1)54(40-22-7-2-8-23-40)43-32-33-46-51(36-43)56-50-35-38-19-14-13-18-37(38)34-48(50)53(46)45-29-16-15-28-44(45)52-47(53)30-17-31-49(52)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-5-20-39(21-6-1)54(40-22-7-2-8-23-40)43-32-33-50-48(36-43)53(47-34-37-18-13-14-19-38(37)35-51(47)56-50)45-29-16-15-28-44(45)52-46(53)30-17-31-49(52)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-48-46(35-43)45-27-15-16-28-47(45)53(48)49-33-37-17-13-14-18-38(37)34-52(49)56-51-32-30-44(36-50(51)53)55(41-23-9-3-10-24-41)42-25-11-4-12-26-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-46-45-27-15-16-28-47(45)53(48(46)35-43)49-33-37-17-13-14-18-38(37)34-52(49)56-51-32-30-44(36-50(51)53)55(41-23-9-3-10-24-41)42-25-11-4-12-26-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-46-45-27-15-16-28-47(45)53(49(46)35-43)48-32-30-44(55(41-23-9-3-10-24-41)42-25-11-4-12-26-42)36-52(48)56-51-34-38-18-14-13-17-37(38)33-50(51)53/h5*1-36H
InChIKeyBILMRPVZWPPXGI-UHFFFAOYSA-N
XLogP71.24
TPSA78.55 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003584.42
LogP ≤ 571.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine?
The IUPAC name of 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine (CID 157359395) is 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine.
What is the SMILES notation for 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine?
The canonical SMILES for 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2ccccc2C32c3cc(N(c4ccccc4)c4ccccc4)ccc3Oc3cc4ccccc4cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4O3)c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc5ccccc5cc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4ccccc4cc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccccc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc4ccccc4cc2C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.
What is the InChIKey of 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine?
The InChIKey is BILMRPVZWPPXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/5C53H36N2O/c1-5-20-39(21-6-1)54(40-22-7-2-8-23-40)43-32-33-46-51(36-43)56-50-35-38-19-14-13-18-37(38)34-48(50)53(46)45-29-16-15-28-44(45)52-47(53)30-17-31-49(52)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-5-20-39(21-6-1)54(40-22-7-2-8-23-40)43-32-33-50-48(36-43)53(47-34-37-18-13-14-19-38(37)35-51(47)56-50)45-29-16-15-28-44(45)52-46(53)30-17-31-49(52)55(41-24-9-3-10-25-41)42-26-11-4-12-27-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-48-46(35-43)45-27-15-16-28-47(45)53(48)49-33-37-17-13-14-18-38(37)34-52(49)56-51-32-30-44(36-50(51)53)55(41-23-9-3-10-24-41)42-25-11-4-12-26-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-46-45-27-15-16-28-47(45)53(48(46)35-43)49-33-37-17-13-14-18-38(37)34-52(49)56-51-32-30-44(36-50(51)53)55(41-23-9-3-10-24-41)42-25-11-4-12-26-42;1-5-19-39(20-6-1)54(40-21-7-2-8-22-40)43-29-31-46-45-27-15-16-28-47(45)53(49(46)35-43)48-32-30-44(55(41-23-9-3-10-24-41)42-25-11-4-12-26-42)36-52(48)56-51-34-38-18-14-13-17-37(38)33-50(51)53/h5*1-36H.
What are the key properties of 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine?
2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine has a molecular weight of 3584.42 g/mol, XLogP of 71.24, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine is sourced from PubChem (CID 157359395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).