N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine

C61H36N2O3 — CID 138582562

IUPACN-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
SMILESc1cc(N(c2ccc3c(c2)Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C61H36N2O3/c1-7-22-49-41(16-1)42-17-2-8-23-50(42)61(49)51-24-9-3-18-43(51)48-35-59-60(36-52(48)61)66-58-34-40(29-31-56(58)65-59)62(39-28-30-47-46-21-6-12-27-55(46)64-57(47)33-39)37-14-13-15-38(32-37)63-53-25-10-4-19-44(53)45-20-5-11-26-54(45)63/h1-36H
InChIKeyGDWMJQYVDUZTNZ-UHFFFAOYSA-N
MW844.97 g/mol
LogP16.39
Rot. Bonds4

About N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine

N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine (PubChem CID 138582562) has the molecular formula C61H36N2O3 and a molecular weight of 844.97 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
PubChem CID138582562
Molecular FormulaC61H36N2O3
Molecular Weight844.97 g/mol
Exact Mass844.27
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
SMILESc1cc(N(c2ccc3c(c2)Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C61H36N2O3/c1-7-22-49-41(16-1)42-17-2-8-23-50(42)61(49)51-24-9-3-18-43(51)48-35-59-60(36-52(48)61)66-58-34-40(29-31-56(58)65-59)62(39-28-30-47-46-21-6-12-27-55(46)64-57(47)33-39)37-14-13-15-38(32-37)63-53-25-10-4-19-44(53)45-20-5-11-26-54(45)63/h1-36H
InChIKeyGDWMJQYVDUZTNZ-UHFFFAOYSA-N
XLogP16.39
TPSA39.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.97
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine with MolForge

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Related Compounds

8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine
CID 126629766
N-dibenzofuran-3-yl-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264393
9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164793881
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425002
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164794806
N-(9,9-diphenylfluoren-3-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 129256023
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine
CID 138582560
9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
CID 164794803
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine (CID 138582562) is N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine is c1cc(N(c2ccc3c(c2)Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine?
The InChIKey is GDWMJQYVDUZTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2O3/c1-7-22-49-41(16-1)42-17-2-8-23-50(42)61(49)51-24-9-3-18-43(51)48-35-59-60(36-52(48)61)66-58-34-40(29-31-56(58)65-59)62(39-28-30-47-46-21-6-12-27-55(46)64-57(47)33-39)37-14-13-15-38(32-37)63-53-25-10-4-19-44(53)45-20-5-11-26-54(45)63/h1-36H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine?
N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine has a molecular weight of 844.97 g/mol, XLogP of 16.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine is sourced from PubChem (CID 138582562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).