N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

C74H46N2S2 — CID 138476470

IUPACN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c5cccc6c5-c5ccccc5C65c6ccccc6Sc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C74H46N2S2/c1-2-19-49(20-3-1)76-65-31-13-6-22-54(65)56-45-48(39-44-66(56)76)47-37-40-50(41-38-47)75(51-42-43-53-52-21-4-7-24-57(52)74(64(53)46-51)61-28-11-16-35-70(61)78-71-36-17-12-29-62(71)74)67-32-18-30-63-72(67)55-23-5-8-25-58(55)73(63)59-26-9-14-33-68(59)77-69-34-15-10-27-60(69)73/h1-46H
InChIKeyMAEIMWMNPOSAAQ-UHFFFAOYSA-N
MW1027.33 g/mol
LogP19.58
Rot. Bonds5

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 138476470) has the molecular formula C74H46N2S2 and a molecular weight of 1027.33 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID138476470
Molecular FormulaC74H46N2S2
Molecular Weight1027.33 g/mol
Exact Mass1026.31
IUPAC NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c5cccc6c5-c5ccccc5C65c6ccccc6Sc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C74H46N2S2/c1-2-19-49(20-3-1)76-65-31-13-6-22-54(65)56-45-48(39-44-66(56)76)47-37-40-50(41-38-47)75(51-42-43-53-52-21-4-7-24-57(52)74(64(53)46-51)61-28-11-16-35-70(61)78-71-36-17-12-29-62(71)74)67-32-18-30-63-72(67)55-23-5-8-25-58(55)73(63)59-26-9-14-33-68(59)77-69-34-15-10-27-60(69)73/h1-46H
InChIKeyMAEIMWMNPOSAAQ-UHFFFAOYSA-N
XLogP19.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.33
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1-amine
CID 146333559
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 121423814
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 167176590
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167989
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 138476470) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c5cccc6c5-c5ccccc5C65c6ccccc6Sc6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is MAEIMWMNPOSAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2S2/c1-2-19-49(20-3-1)76-65-31-13-6-22-54(65)56-45-48(39-44-66(56)76)47-37-40-50(41-38-47)75(51-42-43-53-52-21-4-7-24-57(52)74(64(53)46-51)61-28-11-16-35-70(61)78-71-36-17-12-29-62(71)74)67-32-18-30-63-72(67)55-23-5-8-25-58(55)73(63)59-26-9-14-33-68(59)77-69-34-15-10-27-60(69)73/h1-46H.
What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 1027.33 g/mol, XLogP of 19.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 138476470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).