2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C50H51N — CID 177067952

IUPAC2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC(C)(C)c1cc2c(c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1C(C)(C)C)-c1ccccc1C2(C)C
InChIInChI=1S/C50H51N/c1-47(2,3)43-31-42-44(38-21-15-17-23-40(38)50(42,9)10)46(45(43)48(4,5)6)51(34-26-24-33(25-27-34)32-18-12-11-13-19-32)35-28-29-37-36-20-14-16-22-39(36)49(7,8)41(37)30-35/h11-31H,1-10H3
InChIKeyWSKGHEPIYYWDDK-UHFFFAOYSA-N
MW665.97 g/mol
LogP14.03
Rot. Bonds4

About 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 177067952) has the molecular formula C50H51N and a molecular weight of 665.97 g/mol. Its IUPAC name is 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID177067952
Molecular FormulaC50H51N
Molecular Weight665.97 g/mol
Exact Mass665.40
IUPAC Name2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC(C)(C)c1cc2c(c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1C(C)(C)C)-c1ccccc1C2(C)C
InChIInChI=1S/C50H51N/c1-47(2,3)43-31-42-44(38-21-15-17-23-40(38)50(42,9)10)46(45(43)48(4,5)6)51(34-26-24-33(25-27-34)32-18-12-11-13-19-32)35-28-29-37-36-20-14-16-22-39(36)49(7,8)41(37)30-35/h11-31H,1-10H3
InChIKeyWSKGHEPIYYWDDK-UHFFFAOYSA-N
XLogP14.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.97
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine with MolForge

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Related Compounds

N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781165
N-(9,9-dimethylfluoren-2-yl)-10,10,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[2,1-b]fluoren-5-amine
CID 171401760
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067906
5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
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
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 177067952) is 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC(C)(C)c1cc2c(c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1C(C)(C)C)-c1ccccc1C2(C)C.
What is the InChIKey of 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is WSKGHEPIYYWDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H51N/c1-47(2,3)43-31-42-44(38-21-15-17-23-40(38)50(42,9)10)46(45(43)48(4,5)6)51(34-26-24-33(25-27-34)32-18-12-11-13-19-32)35-28-29-37-36-20-14-16-22-39(36)49(7,8)41(37)30-35/h11-31H,1-10H3.
What are the key properties of 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 665.97 g/mol, XLogP of 14.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 177067952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).