9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine

C62H44N2OS — CID 170084290

IUPAC9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine
SMILESCS(C)(C)c1ccc(N(c2cc3c(c4oc5ccccc5c24)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H44N2OS/c1-66(2,3)43-35-33-41(34-36-43)63(54-28-16-29-55-59(54)47-22-9-14-27-53(47)64(55)42-32-31-39-17-4-5-18-40(39)37-42)56-38-52-58(61-60(56)48-23-10-15-30-57(48)65-61)46-21-8-13-26-51(46)62(52)49-24-11-6-19-44(49)45-20-7-12-25-50(45)62/h4-38H,1-3H3
InChIKeyFXOJJNBNVQBQLG-UHFFFAOYSA-N
MW865.11 g/mol
LogP16.70
Rot. Bonds5

About 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine

9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine (PubChem CID 170084290) has the molecular formula C62H44N2OS and a molecular weight of 865.11 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine
PubChem CID170084290
Molecular FormulaC62H44N2OS
Molecular Weight865.11 g/mol
Exact Mass864.32
IUPAC Name9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine
SMILESCS(C)(C)c1ccc(N(c2cc3c(c4oc5ccccc5c24)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H44N2OS/c1-66(2,3)43-35-33-41(34-36-43)63(54-28-16-29-55-59(54)47-22-9-14-27-53(47)64(55)42-32-31-39-17-4-5-18-40(39)37-42)56-38-52-58(61-60(56)48-23-10-15-30-57(48)65-61)46-21-8-13-26-51(46)62(52)49-24-11-6-19-44(49)45-20-7-12-25-50(45)62/h4-38H,1-3H3
InChIKeyFXOJJNBNVQBQLG-UHFFFAOYSA-N
XLogP16.70
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.11
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-naphthalen-2-yl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-2-amine
CID 170084568
9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 130248084
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 156688425
12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-naphthalen-2-ylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 162712218
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965712
N-(9,9-dimethylfluoren-4-yl)-8-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484881
18-N-(4-tert-butylphenyl)-12-N,18-N-bis(2-fluorophenyl)-12-N-naphthalen-2-ylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 162712360
4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609217
N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 176583314
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 168848110
9-phenyl-N-[9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylcarbazol-2-amine
CID 145345863

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine?
The IUPAC name of 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine (CID 170084290) is 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine is CS(C)(C)c1ccc(N(c2cc3c(c4oc5ccccc5c24)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2c2ccccc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine?
The InChIKey is FXOJJNBNVQBQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2OS/c1-66(2,3)43-35-33-41(34-36-43)63(54-28-16-29-55-59(54)47-22-9-14-27-53(47)64(55)42-32-31-39-17-4-5-18-40(39)37-42)56-38-52-58(61-60(56)48-23-10-15-30-57(48)65-61)46-21-8-13-26-51(46)62(52)49-24-11-6-19-44(49)45-20-7-12-25-50(45)62/h4-38H,1-3H3.
What are the key properties of 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine?
9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine has a molecular weight of 865.11 g/mol, XLogP of 16.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-N-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-N-[4-(trimethyl-λ4-sulfanyl)phenyl]carbazol-4-amine is sourced from PubChem (CID 170084290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).