N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine

C57H47N — CID 167285837

IUPACN-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccccc4)c3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C57H47N/c1-55(2)47-26-14-11-21-41(47)45-34-37(31-33-49(45)55)58(38-30-32-42-40-20-10-13-25-46(40)57(5,6)51(42)35-38)52-29-17-23-39(36-18-8-7-9-19-36)54(52)44-24-16-28-50-53(44)43-22-12-15-27-48(43)56(50,3)4/h7-35H,1-6H3
InChIKeyURVAQNFUGGLWIY-UHFFFAOYSA-N
MW746.01 g/mol
LogP15.41
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine

N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 167285837) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
PubChem CID167285837
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccccc4)c3-c3cccc4c3-c3ccccc3C4(C)C)ccc21
InChIInChI=1S/C57H47N/c1-55(2)47-26-14-11-21-41(47)45-34-37(31-33-49(45)55)58(38-30-32-42-40-20-10-13-25-46(40)57(5,6)51(42)35-38)52-29-17-23-39(36-18-8-7-9-19-36)54(52)44-24-16-28-50-53(44)43-22-12-15-27-48(43)56(50,3)4/h7-35H,1-6H3
InChIKeyURVAQNFUGGLWIY-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293184
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788412
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788809
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790722

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine (CID 167285837) is N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccccc4)c3-c3cccc4c3-c3ccccc3C4(C)C)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is URVAQNFUGGLWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-55(2)47-26-14-11-21-41(47)45-34-37(31-33-49(45)55)58(38-30-32-42-40-20-10-13-25-46(40)57(5,6)51(42)35-38)52-29-17-23-39(36-18-8-7-9-19-36)54(52)44-24-16-28-50-53(44)43-22-12-15-27-48(43)56(50,3)4/h7-35H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine?
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 746.01 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 167285837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).