6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine

C68H58N2Si2 — CID 59182439

IUPAC6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](C)(C)c3c5c(c6ccccc6c3-4)-c3ccc(N(c4ccccc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc3[Si]5(C)C)cc21
InChIInChI=1S/C68H58N2Si2/c1-67(2)57-29-19-17-25-49(57)51-35-31-45(39-59(51)67)69(43-21-11-9-12-22-43)47-33-37-55-61(41-47)71(5,6)65-63(55)53-27-15-16-28-54(53)64-56-38-34-48(42-62(56)72(7,8)66(64)65)70(44-23-13-10-14-24-44)46-32-36-52-50-26-18-20-30-58(50)68(3,4)60(52)40-46/h9-42H,1-8H3
InChIKeyIWOWWWDVILJYEZ-UHFFFAOYSA-N
MW959.40 g/mol
LogP16.00
Rot. Bonds6

About 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine

6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine (PubChem CID 59182439) has the molecular formula C68H58N2Si2 and a molecular weight of 959.40 g/mol. Its IUPAC name is 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine.

Molecular Properties

Compound Name6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
PubChem CID59182439
Molecular FormulaC68H58N2Si2
Molecular Weight959.40 g/mol
Exact Mass958.41
IUPAC Name6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](C)(C)c3c5c(c6ccccc6c3-4)-c3ccc(N(c4ccccc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc3[Si]5(C)C)cc21
InChIInChI=1S/C68H58N2Si2/c1-67(2)57-29-19-17-25-49(57)51-35-31-45(39-59(51)67)69(43-21-11-9-12-22-43)47-33-37-55-61(41-47)71(5,6)65-63(55)53-27-15-16-28-54(53)64-56-38-34-48(42-62(56)72(7,8)66(64)65)70(44-23-13-10-14-24-44)46-32-36-52-50-26-18-20-30-58(50)68(3,4)60(52)40-46/h9-42H,1-8H3
InChIKeyIWOWWWDVILJYEZ-UHFFFAOYSA-N
XLogP16.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.40
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine with MolForge

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Related Compounds

7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140756967
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
10,10,20,20,21,21-hexamethyl-N,N-diphenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-amine
CID 163520415
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 134528078
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
9,9,21,21-tetramethyl-6-N,6-N,18-N,18-N-tetraphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 59182181

Frequently Asked Questions

What is the IUPAC name of 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine?
The IUPAC name of 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine (CID 59182439) is 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine.
What is the SMILES notation for 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine?
The canonical SMILES for 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](C)(C)c3c5c(c6ccccc6c3-4)-c3ccc(N(c4ccccc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc3[Si]5(C)C)cc21.
What is the InChIKey of 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine?
The InChIKey is IWOWWWDVILJYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H58N2Si2/c1-67(2)57-29-19-17-25-49(57)51-35-31-45(39-59(51)67)69(43-21-11-9-12-22-43)47-33-37-55-61(41-47)71(5,6)65-63(55)53-27-15-16-28-54(53)64-56-38-34-48(42-62(56)72(7,8)66(64)65)70(44-23-13-10-14-24-44)46-32-36-52-50-26-18-20-30-58(50)68(3,4)60(52)40-46/h9-42H,1-8H3.
What are the key properties of 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine?
6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine has a molecular weight of 959.40 g/mol, XLogP of 16.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,3,24,24-tetramethyl-6-N,21-N-diphenyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine is sourced from PubChem (CID 59182439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).