N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine

C248H168N8O4 — CID 164955253

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6cccc7cccc5c67)cc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/4C62H42N2O/c1-61(2)48-25-9-7-23-47(48)60-52(61)28-16-31-55(60)63(41-33-35-45-44-22-8-12-30-54(44)64(56(45)37-41)40-19-4-3-5-20-40)42-34-36-51-58(38-42)65-57-32-13-11-27-50(57)62(51)49-26-10-6-21-43(49)46-24-14-17-39-18-15-29-53(62)59(39)46;1-61(2)50-24-9-6-21-45(50)49-36-41(31-34-51(49)61)63(42-30-33-47-46-22-8-12-28-56(46)64(57(47)37-42)40-18-4-3-5-19-40)43-32-35-54-59(38-43)65-58-29-13-11-26-53(58)62(54)52-25-10-7-20-44(52)48-23-14-16-39-17-15-27-55(62)60(39)48;1-61(2)50-24-9-6-20-44(50)46-33-30-41(36-55(46)61)63(42-31-34-48-47-22-8-12-28-56(47)64(57(48)37-42)40-18-4-3-5-19-40)43-32-35-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)49-23-14-16-39-17-15-27-54(62)60(39)49;1-61(2)50-24-9-6-20-44(50)46-33-30-41(36-55(46)61)64-56-28-12-8-22-47(56)48-34-31-42(37-57(48)64)63(40-18-4-3-5-19-40)43-32-35-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)49-23-14-16-39-17-15-27-54(62)60(39)49/h4*3-38H,1-2H3
InChIKeyBBUAHEHQWCTIJL-UHFFFAOYSA-N
MW3324.12 g/mol
LogP64.73
Rot. Bonds16

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine (PubChem CID 164955253) has the molecular formula C248H168N8O4 and a molecular weight of 3324.12 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
PubChem CID164955253
Molecular FormulaC248H168N8O4
Molecular Weight3324.12 g/mol
Exact Mass3321.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6cccc7cccc5c67)cc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/4C62H42N2O/c1-61(2)48-25-9-7-23-47(48)60-52(61)28-16-31-55(60)63(41-33-35-45-44-22-8-12-30-54(44)64(56(45)37-41)40-19-4-3-5-20-40)42-34-36-51-58(38-42)65-57-32-13-11-27-50(57)62(51)49-26-10-6-21-43(49)46-24-14-17-39-18-15-29-53(62)59(39)46;1-61(2)50-24-9-6-21-45(50)49-36-41(31-34-51(49)61)63(42-30-33-47-46-22-8-12-28-56(46)64(57(47)37-42)40-18-4-3-5-19-40)43-32-35-54-59(38-43)65-58-29-13-11-26-53(58)62(54)52-25-10-7-20-44(52)48-23-14-16-39-17-15-27-55(62)60(39)48;1-61(2)50-24-9-6-20-44(50)46-33-30-41(36-55(46)61)63(42-31-34-48-47-22-8-12-28-56(47)64(57(48)37-42)40-18-4-3-5-19-40)43-32-35-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)49-23-14-16-39-17-15-27-54(62)60(39)49;1-61(2)50-24-9-6-20-44(50)46-33-30-41(36-55(46)61)64-56-28-12-8-22-47(56)48-34-31-42(37-57(48)64)63(40-18-4-3-5-19-40)43-32-35-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)49-23-14-16-39-17-15-27-54(62)60(39)49/h4*3-38H,1-2H3
InChIKeyBBUAHEHQWCTIJL-UHFFFAOYSA-N
XLogP64.73
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms260
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003324.12
LogP ≤ 564.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine (CID 164955253) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6cccc7cccc5c67)cc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The InChIKey is BBUAHEHQWCTIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C62H42N2O/c1-61(2)48-25-9-7-23-47(48)60-52(61)28-16-31-55(60)63(41-33-35-45-44-22-8-12-30-54(44)64(56(45)37-41)40-19-4-3-5-20-40)42-34-36-51-58(38-42)65-57-32-13-11-27-50(57)62(51)49-26-10-6-21-43(49)46-24-14-17-39-18-15-29-53(62)59(39)46;1-61(2)50-24-9-6-21-45(50)49-36-41(31-34-51(49)61)63(42-30-33-47-46-22-8-12-28-56(46)64(57(47)37-42)40-18-4-3-5-19-40)43-32-35-54-59(38-43)65-58-29-13-11-26-53(58)62(54)52-25-10-7-20-44(52)48-23-14-16-39-17-15-27-55(62)60(39)48;1-61(2)50-24-9-6-20-44(50)46-33-30-41(36-55(46)61)63(42-31-34-48-47-22-8-12-28-56(47)64(57(48)37-42)40-18-4-3-5-19-40)43-32-35-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)49-23-14-16-39-17-15-27-54(62)60(39)49;1-61(2)50-24-9-6-20-44(50)46-33-30-41(36-55(46)61)64-56-28-12-8-22-47(56)48-34-31-42(37-57(48)64)63(40-18-4-3-5-19-40)43-32-35-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)49-23-14-16-39-17-15-27-54(62)60(39)49/h4*3-38H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine has a molecular weight of 3324.12 g/mol, XLogP of 64.73, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine is sourced from PubChem (CID 164955253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).