N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane

C55H46N2 — CID 158670022

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C54H42N2.CH4/c1-53(2)46-19-10-6-17-44(46)52-47(53)20-13-23-51(52)55(39-32-33-41-40-14-5-9-18-45(40)54(3,4)48(41)34-39)37-28-24-35(25-29-37)36-26-30-38(31-27-36)56-49-21-11-7-15-42(49)43-16-8-12-22-50(43)56;/h5-34H,1-4H3;1H4
InChIKeyIDVIOCHRLCMMDC-UHFFFAOYSA-N
MW734.99 g/mol
LogP15.17
Rot. Bonds5

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane (PubChem CID 158670022) has the molecular formula C55H46N2 and a molecular weight of 734.99 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
PubChem CID158670022
Molecular FormulaC55H46N2
Molecular Weight734.99 g/mol
Exact Mass734.37
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C54H42N2.CH4/c1-53(2)46-19-10-6-17-44(46)52-47(53)20-13-23-51(52)55(39-32-33-41-40-14-5-9-18-45(40)54(3,4)48(41)34-39)37-28-24-35(25-29-37)36-26-30-38(31-27-36)56-49-21-11-7-15-42(49)43-16-8-12-22-50(43)56;/h5-34H,1-4H3;1H4
InChIKeyIDVIOCHRLCMMDC-UHFFFAOYSA-N
XLogP15.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.99
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
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-(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-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160744068
N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 118410898
7-carbazol-9-yl-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 135193230
2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine
CID 155095546
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
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane (CID 158670022) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane is C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane?
The InChIKey is IDVIOCHRLCMMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2.CH4/c1-53(2)46-19-10-6-17-44(46)52-47(53)20-13-23-51(52)55(39-32-33-41-40-14-5-9-18-45(40)54(3,4)48(41)34-39)37-28-24-35(25-29-37)36-26-30-38(31-27-36)56-49-21-11-7-15-42(49)43-16-8-12-22-50(43)56;/h5-34H,1-4H3;1H4.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane has a molecular weight of 734.99 g/mol, XLogP of 15.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane is sourced from PubChem (CID 158670022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).