N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine

C60H48N2 — CID 145232569

IUPACN-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCC1(C)C2=C(/C=C\Nc3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc5)c4)cc3-c3ccccc3/C=C\2)c2ccccc21
InChIInChI=1S/C60H48N2/c1-59(2)54-23-12-10-21-49(54)51-35-36-61-58-34-28-44(38-53(58)48-20-9-8-15-41(48)27-32-56(51)59)43-17-14-16-42(37-43)40-25-29-46(30-26-40)62(45-18-6-5-7-19-45)47-31-33-57-52(39-47)50-22-11-13-24-55(50)60(57,3)4/h5-39,61H,1-4H3/b32-27-,36-35-
InChIKeyUZDCIOFXIQBDIL-BRZSNDBHSA-N
MW797.06 g/mol
LogP16.16
Rot. Bonds5

About N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine

N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine (PubChem CID 145232569) has the molecular formula C60H48N2 and a molecular weight of 797.06 g/mol. Its IUPAC name is N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
PubChem CID145232569
Molecular FormulaC60H48N2
Molecular Weight797.06 g/mol
Exact Mass796.38
IUPAC NameN-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCC1(C)C2=C(/C=C\Nc3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc5)c4)cc3-c3ccccc3/C=C\2)c2ccccc21
InChIInChI=1S/C60H48N2/c1-59(2)54-23-12-10-21-49(54)51-35-36-61-58-34-28-44(38-53(58)48-20-9-8-15-41(48)27-32-56(51)59)43-17-14-16-42(37-43)40-25-29-46(30-26-40)62(45-18-6-5-7-19-45)47-31-33-57-52(39-47)50-22-11-13-24-55(50)60(57,3)4/h5-39,61H,1-4H3/b32-27-,36-35-
InChIKeyUZDCIOFXIQBDIL-BRZSNDBHSA-N
XLogP16.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.06
LogP ≤ 516.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine with MolForge

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Related Compounds

9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167176479
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
The IUPAC name of N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine (CID 145232569) is N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine.
What is the SMILES notation for N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
The canonical SMILES for N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine is CC1(C)C2=C(/C=C\Nc3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc5)c4)cc3-c3ccccc3/C=C\2)c2ccccc21.
What is the InChIKey of N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
The InChIKey is UZDCIOFXIQBDIL-BRZSNDBHSA-N. The full InChI is InChI=1S/C60H48N2/c1-59(2)54-23-12-10-21-49(54)51-35-36-61-58-34-28-44(38-53(58)48-20-9-8-15-41(48)27-32-56(51)59)43-17-14-16-42(37-43)40-25-29-46(30-26-40)62(45-18-6-5-7-19-45)47-31-33-57-52(39-47)50-22-11-13-24-55(50)60(57,3)4/h5-39,61H,1-4H3/b32-27-,36-35-.
What are the key properties of N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine has a molecular weight of 797.06 g/mol, XLogP of 16.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2Z,17E)-26,26-dimethyl-16-azapentacyclo[17.7.0.04,9.010,15.020,25]hexacosa-1(19),2,4,6,8,10(15),11,13,17,20,22,24-dodecaen-12-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine is sourced from PubChem (CID 145232569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).