6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

C76H62N2S — CID 122661048

IUPAC6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3c-4sc4c3C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)ccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C76H62N2S/c1-73(2)61-31-19-15-29-55(61)57-39-35-49(43-63(57)73)77(67-33-21-17-27-53(67)47-23-11-9-12-24-47)51-37-41-59-65(45-51)75(5,6)69-70-72(79-71(59)69)60-42-38-52(46-66(60)76(70,7)8)78(68-34-22-18-28-54(68)48-25-13-10-14-26-48)50-36-40-58-56-30-16-20-32-62(56)74(3,4)64(58)44-50/h9-46H,1-8H3
InChIKeyKGBPOPBEQZSVBU-UHFFFAOYSA-N
MW1035.41 g/mol
LogP21.25
Rot. Bonds8

About 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (PubChem CID 122661048) has the molecular formula C76H62N2S and a molecular weight of 1035.41 g/mol. Its IUPAC name is 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

Molecular Properties

Compound Name6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
PubChem CID122661048
Molecular FormulaC76H62N2S
Molecular Weight1035.41 g/mol
Exact Mass1034.46
IUPAC Name6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3c-4sc4c3C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)ccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C76H62N2S/c1-73(2)61-31-19-15-29-55(61)57-39-35-49(43-63(57)73)77(67-33-21-17-27-53(67)47-23-11-9-12-24-47)51-37-41-59-65(45-51)75(5,6)69-70-72(79-71(59)69)60-42-38-52(46-66(60)76(70,7)8)78(68-34-22-18-28-54(68)48-25-13-10-14-26-48)50-36-40-58-56-30-16-20-32-62(56)74(3,4)64(58)44-50/h9-46H,1-8H3
InChIKeyKGBPOPBEQZSVBU-UHFFFAOYSA-N
XLogP21.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.41
LogP ≤ 521.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,6-N,16-N-triphenyl-16-N-(4-trimethylsilylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 159886579
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661071
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
6-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-16-N-(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661077
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761
5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 121361263
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236

Frequently Asked Questions

What is the IUPAC name of 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The IUPAC name of 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (CID 122661048) is 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.
What is the SMILES notation for 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The canonical SMILES for 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3c-4sc4c3C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)ccc3-4)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
The InChIKey is KGBPOPBEQZSVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62N2S/c1-73(2)61-31-19-15-29-55(61)57-39-35-49(43-63(57)73)77(67-33-21-17-27-53(67)47-23-11-9-12-24-47)51-37-41-59-65(45-51)75(5,6)69-70-72(79-71(59)69)60-42-38-52(46-66(60)76(70,7)8)78(68-34-22-18-28-54(68)48-25-13-10-14-26-48)50-36-40-58-56-30-16-20-32-62(56)74(3,4)64(58)44-50/h9-46H,1-8H3.
What are the key properties of 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?
6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine has a molecular weight of 1035.41 g/mol, XLogP of 21.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is sourced from PubChem (CID 122661048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).