N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine

C52H38N2Si — CID 146929973

IUPACN-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c(c4c2c2cccc5c6ccccc6n4c52)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C52H38N2Si/c1-55(2,3)35-30-28-34(29-31-35)53(33-16-5-4-6-17-33)47-32-45-48(51-49(47)41-23-15-22-39-38-20-10-14-27-46(38)54(51)50(39)41)40-21-9-13-26-44(40)52(45)42-24-11-7-18-36(42)37-19-8-12-25-43(37)52/h4-32H,1-3H3
InChIKeyAEURCUYVQPZDEN-UHFFFAOYSA-N
MW718.98 g/mol
LogP13.20
Rot. Bonds4

About N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine

N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine (PubChem CID 146929973) has the molecular formula C52H38N2Si and a molecular weight of 718.98 g/mol. Its IUPAC name is N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine
PubChem CID146929973
Molecular FormulaC52H38N2Si
Molecular Weight718.98 g/mol
Exact Mass718.28
IUPAC NameN-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine
SMILESC[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c(c4c2c2cccc5c6ccccc6n4c52)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C52H38N2Si/c1-55(2,3)35-30-28-34(29-31-35)53(33-16-5-4-6-17-33)47-32-45-48(51-49(47)41-23-15-22-39-38-20-10-14-27-46(38)54(51)50(39)41)40-21-9-13-26-44(40)52(45)42-24-11-7-18-36(42)37-19-8-12-25-43(37)52/h4-32H,1-3H3
InChIKeyAEURCUYVQPZDEN-UHFFFAOYSA-N
XLogP13.20
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.98
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine with MolForge

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Related Compounds

7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine
CID 149380745
2-N',5-N',12'-triphenyl-2-N',5-N'-bis(3-trimethylsilylphenyl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-2',5'-diamine
CID 160679461
9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
CID 138746092
CID 134551739
CID 134551739
3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaene;5-N,5-N,22-N,22-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine
CID 161258432
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-6-amine
CID 145354326
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 161396411
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 160575058
9-N',15-N'-bis(4-ethylphenyl)-9-N',15-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 140962756
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167989
N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168358

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine?
The IUPAC name of N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine (CID 146929973) is N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine.
What is the SMILES notation for N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine?
The canonical SMILES for N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c(c4c2c2cccc5c6ccccc6n4c52)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine?
The InChIKey is AEURCUYVQPZDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2Si/c1-55(2,3)35-30-28-34(29-31-35)53(33-16-5-4-6-17-33)47-32-45-48(51-49(47)41-23-15-22-39-38-20-10-14-27-46(38)54(51)50(39)41)40-21-9-13-26-44(40)52(45)42-24-11-7-18-36(42)37-19-8-12-25-43(37)52/h4-32H,1-3H3.
What are the key properties of N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine?
N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine has a molecular weight of 718.98 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine is sourced from PubChem (CID 146929973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).