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

C192H130N6OS2 — CID 165027875

IUPACN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C68H46N2O.2C62H42N2S/c1-67(2)56-27-12-9-23-50(56)54-40-45(32-36-57(54)67)69(46-34-39-63-55(41-46)51-24-11-15-30-62(51)70(63)44-20-7-4-8-21-44)47-33-37-60-65(42-47)71-64-31-16-14-29-59(64)68(60)58-28-13-10-22-49(58)53-26-17-25-52-48(35-38-61(68)66(52)53)43-18-5-3-6-19-43;1-61(2)50-24-9-6-21-45(50)48-36-41(30-33-51(48)61)63(42-32-35-57-49(37-42)46-22-8-12-28-56(46)64(57)40-18-4-3-5-19-40)43-31-34-54-59(38-43)65-58-29-13-11-26-53(58)62(54)52-25-10-7-20-44(52)47-23-14-16-39-17-15-27-55(62)60(39)47;1-61(2)50-24-9-6-20-44(50)46-33-30-42(37-55(46)61)63(41-32-35-57-49(36-41)47-22-8-12-28-56(47)64(57)40-18-4-3-5-19-40)43-31-34-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)48-23-14-16-39-17-15-27-54(62)60(39)48/h3-42H,1-2H3;2*3-38H,1-2H3
InChIKeyMEFWZNXDJCLRBQ-UHFFFAOYSA-N
MW2601.33 g/mol
LogP50.93
Rot. Bonds13

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

N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine (PubChem CID 165027875) has the molecular formula C192H130N6OS2 and a molecular weight of 2601.33 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
PubChem CID165027875
Molecular FormulaC192H130N6OS2
Molecular Weight2601.33 g/mol
Exact Mass2598.97
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C68H46N2O.2C62H42N2S/c1-67(2)56-27-12-9-23-50(56)54-40-45(32-36-57(54)67)69(46-34-39-63-55(41-46)51-24-11-15-30-62(51)70(63)44-20-7-4-8-21-44)47-33-37-60-65(42-47)71-64-31-16-14-29-59(64)68(60)58-28-13-10-22-49(58)53-26-17-25-52-48(35-38-61(68)66(52)53)43-18-5-3-6-19-43;1-61(2)50-24-9-6-21-45(50)48-36-41(30-33-51(48)61)63(42-32-35-57-49(37-42)46-22-8-12-28-56(46)64(57)40-18-4-3-5-19-40)43-31-34-54-59(38-43)65-58-29-13-11-26-53(58)62(54)52-25-10-7-20-44(52)47-23-14-16-39-17-15-27-55(62)60(39)47;1-61(2)50-24-9-6-20-44(50)46-33-30-42(37-55(46)61)63(41-32-35-57-49(36-41)47-22-8-12-28-56(47)64(57)40-18-4-3-5-19-40)43-31-34-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)48-23-14-16-39-17-15-27-54(62)60(39)48/h3-42H,1-2H3;2*3-38H,1-2H3
InChIKeyMEFWZNXDJCLRBQ-UHFFFAOYSA-N
XLogP50.93
TPSA33.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms201
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002601.33
LogP ≤ 550.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)
CID 165079610
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164793862
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165052697
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164794575
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
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
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794703
9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
CID 138477473
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794173
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine
CID 121357385
N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 165023842

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine (CID 165027875) is N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5c(-c6ccccc6)ccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine?
The InChIKey is MEFWZNXDJCLRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2O.2C62H42N2S/c1-67(2)56-27-12-9-23-50(56)54-40-45(32-36-57(54)67)69(46-34-39-63-55(41-46)51-24-11-15-30-62(51)70(63)44-20-7-4-8-21-44)47-33-37-60-65(42-47)71-64-31-16-14-29-59(64)68(60)58-28-13-10-22-49(58)53-26-17-25-52-48(35-38-61(68)66(52)53)43-18-5-3-6-19-43;1-61(2)50-24-9-6-21-45(50)48-36-41(30-33-51(48)61)63(42-32-35-57-49(37-42)46-22-8-12-28-56(46)64(57)40-18-4-3-5-19-40)43-31-34-54-59(38-43)65-58-29-13-11-26-53(58)62(54)52-25-10-7-20-44(52)47-23-14-16-39-17-15-27-55(62)60(39)47;1-61(2)50-24-9-6-20-44(50)46-33-30-42(37-55(46)61)63(41-32-35-57-49(36-41)47-22-8-12-28-56(47)64(57)40-18-4-3-5-19-40)43-31-34-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)48-23-14-16-39-17-15-27-54(62)60(39)48/h3-42H,1-2H3;2*3-38H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine?
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine has a molecular weight of 2601.33 g/mol, XLogP of 50.93, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine is sourced from PubChem (CID 165027875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).