N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine

C59H51N — CID 171438962

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3C(C)(C)c3cc(N(c5ccc(C6CC7CCC6C7)cc5)c5cc6ccccc6cc5-c5ccccc5)ccc3-4)cccc21
InChIInChI=1S/C59H51N/c1-58(2)52-22-11-10-18-49(52)56-46(19-13-23-53(56)58)48-21-12-20-47-45-31-30-44(36-54(45)59(3,4)57(47)48)60(43-28-26-39(27-29-43)50-33-37-24-25-42(50)32-37)55-35-41-17-9-8-16-40(41)34-51(55)38-14-6-5-7-15-38/h5-23,26-31,34-37,42,50H,24-25,32-33H2,1-4H3
InChIKeyMGQMTFTYVUOVDO-UHFFFAOYSA-N
MW774.06 g/mol
LogP16.16
Rot. Bonds6

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine (PubChem CID 171438962) has the molecular formula C59H51N and a molecular weight of 774.06 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
PubChem CID171438962
Molecular FormulaC59H51N
Molecular Weight774.06 g/mol
Exact Mass773.40
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3C(C)(C)c3cc(N(c5ccc(C6CC7CCC6C7)cc5)c5cc6ccccc6cc5-c5ccccc5)ccc3-4)cccc21
InChIInChI=1S/C59H51N/c1-58(2)52-22-11-10-18-49(52)56-46(19-13-23-53(56)58)48-21-12-20-47-45-31-30-44(36-54(45)59(3,4)57(47)48)60(43-28-26-39(27-29-43)50-33-37-24-25-42(50)32-37)55-35-41-17-9-8-16-40(41)34-51(55)38-14-6-5-7-15-38/h5-23,26-31,34-37,42,50H,24-25,32-33H2,1-4H3
InChIKeyMGQMTFTYVUOVDO-UHFFFAOYSA-N
XLogP16.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.06
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176187
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(9,9-dimethyl-5-phenylfluoren-2-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine
CID 170405155
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
CID 170543143
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-naphthalen-1-yl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176364
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 168739125
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738853
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168739156
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
CID 168739480
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168738529

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine (CID 171438962) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3cccc4c3C(C)(C)c3cc(N(c5ccc(C6CC7CCC6C7)cc5)c5cc6ccccc6cc5-c5ccccc5)ccc3-4)cccc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine?
The InChIKey is MGQMTFTYVUOVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N/c1-58(2)52-22-11-10-18-49(52)56-46(19-13-23-53(56)58)48-21-12-20-47-45-31-30-44(36-54(45)59(3,4)57(47)48)60(43-28-26-39(27-29-43)50-33-37-24-25-42(50)32-37)55-35-41-17-9-8-16-40(41)34-51(55)38-14-6-5-7-15-38/h5-23,26-31,34-37,42,50H,24-25,32-33H2,1-4H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine has a molecular weight of 774.06 g/mol, XLogP of 16.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 171438962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).