5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine

C61H40N4O2 — CID 149376816

IUPAC5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
SMILESCc1nc2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccc4ccccc4c2)c2nc(C)oc12)C31c2ccccc2-c2ccccc21
InChIInChI=1S/C61H40N4O2/c1-37-62-57-53(64(43-21-5-3-6-22-43)45-31-29-39-17-9-11-19-41(39)33-45)35-51-55(59(57)66-37)56-52(61(51)49-27-15-13-25-47(49)48-26-14-16-28-50(48)61)36-54(58-60(56)67-38(2)63-58)65(44-23-7-4-8-24-44)46-32-30-40-18-10-12-20-42(40)34-46/h3-36H,1-2H3
InChIKeyYKWUAPGXNAOWRQ-UHFFFAOYSA-N
MW861.02 g/mol
LogP16.18
Rot. Bonds6

About 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine

5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine (PubChem CID 149376816) has the molecular formula C61H40N4O2 and a molecular weight of 861.02 g/mol. Its IUPAC name is 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine.

Molecular Properties

Compound Name5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
PubChem CID149376816
Molecular FormulaC61H40N4O2
Molecular Weight861.02 g/mol
Exact Mass860.32
IUPAC Name5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
SMILESCc1nc2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccc4ccccc4c2)c2nc(C)oc12)C31c2ccccc2-c2ccccc21
InChIInChI=1S/C61H40N4O2/c1-37-62-57-53(64(43-21-5-3-6-22-43)45-31-29-39-17-9-11-19-41(39)33-45)35-51-55(59(57)66-37)56-52(61(51)49-27-15-13-25-47(49)48-26-14-16-28-50(48)61)36-54(58-60(56)67-38(2)63-58)65(44-23-7-4-8-24-44)46-32-30-40-18-10-12-20-42(40)34-46/h3-36H,1-2H3
InChIKeyYKWUAPGXNAOWRQ-UHFFFAOYSA-N
XLogP16.18
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.02
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine with MolForge

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Related Compounds

3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207
8-N,14-N-bis(4-tert-butylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;5,17-bis(2-methylphenyl)-8-N,14-N-dinaphthalen-2-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(3-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-trimethylsilylphenyl)spiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
CID 161408724
4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
CID 168775420
12-N-(4-tert-butylphenyl)-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[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;12-N,18-N-diphenyl-12-N,18-N-bis(4-phenylphenyl)spiro[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;12-N-naphthalen-2-yl-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[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;12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-(4-phenylphenyl)spiro[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 163642963
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
N-(3,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-amine
CID 137493782
4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-dimethyl-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaen-8-yl]anilino)benzonitrile
CID 153283686
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
CID 159807701
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline
CID 163547674
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447755

Frequently Asked Questions

What is the IUPAC name of 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?
The IUPAC name of 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine (CID 149376816) is 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine.
What is the SMILES notation for 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?
The canonical SMILES for 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine is Cc1nc2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2ccc4ccccc4c2)c2nc(C)oc12)C31c2ccccc2-c2ccccc21.
What is the InChIKey of 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?
The InChIKey is YKWUAPGXNAOWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O2/c1-37-62-57-53(64(43-21-5-3-6-22-43)45-31-29-39-17-9-11-19-41(39)33-45)35-51-55(59(57)66-37)56-52(61(51)49-27-15-13-25-47(49)48-26-14-16-28-50(48)61)36-54(58-60(56)67-38(2)63-58)65(44-23-7-4-8-24-44)46-32-30-40-18-10-12-20-42(40)34-46/h3-36H,1-2H3.
What are the key properties of 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?
5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine has a molecular weight of 861.02 g/mol, XLogP of 16.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine is sourced from PubChem (CID 149376816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).