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

C62H44N2OS — CID 170084568

IUPAC9-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
SMILESCS(C)(C)c1ccc(N(c2ccc3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cc3c(c4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H44N2OS/c1-66(2,3)44-33-30-41(31-34-44)63(43-32-35-48-47-20-9-14-26-55(47)64(56(48)37-43)42-29-28-39-16-4-5-17-40(39)36-42)57-38-54-59(60-50-22-10-15-27-58(50)65-61(57)60)49-21-8-13-25-53(49)62(54)51-23-11-6-18-45(51)46-19-7-12-24-52(46)62/h4-38H,1-3H3
InChIKeyOARRVKGMKQOMEE-UHFFFAOYSA-N
MW865.11 g/mol
LogP16.70
Rot. Bonds5

About 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

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 (PubChem CID 170084568) has the molecular formula C62H44N2OS and a molecular weight of 865.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID170084568
Molecular FormulaC62H44N2OS
Molecular Weight865.11 g/mol
Exact Mass864.32
IUPAC Name9-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
SMILESCS(C)(C)c1ccc(N(c2ccc3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cc3c(c4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C62H44N2OS/c1-66(2,3)44-33-30-41(31-34-44)63(43-32-35-48-47-20-9-14-26-55(47)64(56(48)37-43)42-29-28-39-16-4-5-17-40(39)36-42)57-38-54-59(60-50-22-10-15-27-58(50)65-61(57)60)49-21-8-13-25-53(49)62(54)51-23-11-6-18-45(51)46-19-7-12-24-52(46)62/h4-38H,1-3H3
InChIKeyOARRVKGMKQOMEE-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

Analyze 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 with MolForge

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Related Compounds

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
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 164732134
N-(14,14-diethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaen-11-yl)-11,11-dimethyl-N-naphthalen-2-yl-3-phenyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaen-6-amine
CID 134393119
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
7-dibenzothiophen-2-yl-N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 146332998
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
4-N-naphthalen-2-yl-3-N',3-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838041
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794089
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838184
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-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 67964581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(C)(C)c1ccc(N(c2ccc3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cc3c(c4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is OARRVKGMKQOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2OS/c1-66(2,3)44-33-30-41(31-34-44)63(43-32-35-48-47-20-9-14-26-55(47)64(56(48)37-43)42-29-28-39-16-4-5-17-40(39)36-42)57-38-54-59(60-50-22-10-15-27-58(50)65-61(57)60)49-21-8-13-25-53(49)62(54)51-23-11-6-18-45(51)46-19-7-12-24-52(46)62/h4-38H,1-3H3.
What are the key properties of 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?
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 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[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 is sourced from PubChem (CID 170084568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).