N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine

C54H42N2 — CID 139568156

IUPACN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C54H42N2/c1-53(2)46-24-12-9-20-44(46)51-47(53)25-15-27-50(51)55(38-32-33-41-40-18-8-11-23-45(40)54(3,4)48(41)34-38)37-30-28-35(29-31-37)39-21-14-22-43-42-19-10-13-26-49(42)56(52(39)43)36-16-6-5-7-17-36/h5-34H,1-4H3
InChIKeyMFOBGFALFSDQKA-UHFFFAOYSA-N
MW718.94 g/mol
LogP14.53
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine (PubChem CID 139568156) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
PubChem CID139568156
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C54H42N2/c1-53(2)46-24-12-9-20-44(46)51-47(53)25-15-27-50(51)55(38-32-33-41-40-18-8-11-23-45(40)54(3,4)48(41)34-38)37-30-28-35(29-31-37)39-21-14-22-43-42-19-10-13-26-49(42)56(52(39)43)36-16-6-5-7-17-36/h5-34H,1-4H3
InChIKeyMFOBGFALFSDQKA-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666044
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(1-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(4-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine
CID 158052974
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139567856
N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568306
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789606
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine (CID 139568156) is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine?
The InChIKey is MFOBGFALFSDQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-53(2)46-24-12-9-20-44(46)51-47(53)25-15-27-50(51)55(38-32-33-41-40-18-8-11-23-45(40)54(3,4)48(41)34-38)37-30-28-35(29-31-37)39-21-14-22-43-42-19-10-13-26-49(42)56(52(39)43)36-16-6-5-7-17-36/h5-34H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine has a molecular weight of 718.94 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 139568156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).