N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine

C61H41N — CID 174009914

IUPACN-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine
SMILESC=CC=C1/C(=C\C)c2ccccc2C12c1ccccc1-c1ccc(N(c3ccc4c(c3)C35c6c-4cccc6-c4cccc(c43)C3C=CC=CC35)c3cccc4ccccc34)cc12
InChIInChI=1S/C61H41N/c1-3-16-51-40(4-2)42-20-7-10-27-52(42)60(51)53-28-11-8-21-43(53)45-33-31-38(35-55(45)60)62(57-30-13-18-37-17-5-6-19-41(37)57)39-32-34-46-48-24-15-26-50-49-25-14-23-47-44-22-9-12-29-54(44)61(58(47)49,59(48)50)56(46)36-39/h3-36,44,54H,1H2,2H3/b40-4-,51-16?
InChIKeyUXCUHRIQYOGOAU-OCMBYQIESA-N
MW788.01 g/mol
LogP15.29
Rot. Bonds4

About N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine

N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine (PubChem CID 174009914) has the molecular formula C61H41N and a molecular weight of 788.01 g/mol. Its IUPAC name is N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine.

Molecular Properties

Compound NameN-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine
PubChem CID174009914
Molecular FormulaC61H41N
Molecular Weight788.01 g/mol
Exact Mass787.32
IUPAC NameN-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine
SMILESC=CC=C1/C(=C\C)c2ccccc2C12c1ccccc1-c1ccc(N(c3ccc4c(c3)C35c6c-4cccc6-c4cccc(c43)C3C=CC=CC35)c3cccc4ccccc34)cc12
InChIInChI=1S/C61H41N/c1-3-16-51-40(4-2)42-20-7-10-27-52(42)60(51)53-28-11-8-21-43(53)45-33-31-38(35-55(45)60)62(57-30-13-18-37-17-5-6-19-41(37)57)39-32-34-46-48-24-15-26-50-49-25-14-23-47-44-22-9-12-29-54(44)61(58(47)49,59(48)50)56(46)36-39/h3-36,44,54H,1H2,2H3/b40-4-,51-16?
InChIKeyUXCUHRIQYOGOAU-OCMBYQIESA-N
XLogP15.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.01
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine with MolForge

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Related Compounds

11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775247
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 146247471
N-dibenzothiophen-1-yl-N-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 167095058
8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(3-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 170214633
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
9-(4-ethenylphenyl)-N-[4-[4-[4-[[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170070824
N-naphthalen-2-yl-9,9-diphenyl-N-(3,9,9-triphenyl-4b,8a-dihydrofluoren-2-yl)fluoren-2-amine
CID 175632223
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712

Frequently Asked Questions

What is the IUPAC name of N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine?
The IUPAC name of N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine (CID 174009914) is N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine.
What is the SMILES notation for N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine?
The canonical SMILES for N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine is C=CC=C1/C(=C\C)c2ccccc2C12c1ccccc1-c1ccc(N(c3ccc4c(c3)C35c6c-4cccc6-c4cccc(c43)C3C=CC=CC35)c3cccc4ccccc34)cc12.
What is the InChIKey of N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine?
The InChIKey is UXCUHRIQYOGOAU-OCMBYQIESA-N. The full InChI is InChI=1S/C61H41N/c1-3-16-51-40(4-2)42-20-7-10-27-52(42)60(51)53-28-11-8-21-43(53)45-33-31-38(35-55(45)60)62(57-30-13-18-37-17-5-6-19-41(37)57)39-32-34-46-48-24-15-26-50-49-25-14-23-47-44-22-9-12-29-54(44)61(58(47)49,59(48)50)56(46)36-39/h3-36,44,54H,1H2,2H3/b40-4-,51-16?.
What are the key properties of N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine?
N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine has a molecular weight of 788.01 g/mol, XLogP of 15.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3'Z)-3'-ethylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-yl]-N-naphthalen-1-ylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13(24),14,16,19,21-undecaen-4-amine is sourced from PubChem (CID 174009914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).