N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane

C55H46N2 — CID 159602071

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane
SMILESC.CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C54H42N2.CH4/c1-53(2)47-21-11-6-17-41(47)45-33-37(30-32-48(45)53)55(38-29-31-42-40-16-5-10-20-46(40)54(3,4)49(42)34-38)36-27-25-35(26-28-36)39-15-7-12-22-50(39)56-51-23-13-8-18-43(51)44-19-9-14-24-52(44)56;/h5-34H,1-4H3;1H4
InChIKeyMLPJDVDYNYIBRE-UHFFFAOYSA-N
MW734.99 g/mol
LogP15.17
Rot. Bonds5

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane (PubChem CID 159602071) has the molecular formula C55H46N2 and a molecular weight of 734.99 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane
PubChem CID159602071
Molecular FormulaC55H46N2
Molecular Weight734.99 g/mol
Exact Mass734.37
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane
SMILESC.CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C54H42N2.CH4/c1-53(2)47-21-11-6-17-41(47)45-33-37(30-32-48(45)53)55(38-29-31-42-40-16-5-10-20-46(40)54(3,4)49(42)34-38)36-27-25-35(26-28-36)39-15-7-12-22-50(39)56-51-23-13-8-18-43(51)44-19-9-14-24-52(44)56;/h5-34H,1-4H3;1H4
InChIKeyMLPJDVDYNYIBRE-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-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 134380558
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 165066958
6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 159916730
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139567856
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
9,9-dimethyl-N-[4-[4-[2-(2-naphthalen-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155038409
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane (CID 159602071) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane is C.CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane?
The InChIKey is MLPJDVDYNYIBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2.CH4/c1-53(2)47-21-11-6-17-41(47)45-33-37(30-32-48(45)53)55(38-29-31-42-40-16-5-10-20-46(40)54(3,4)49(42)34-38)36-27-25-35(26-28-36)39-15-7-12-22-50(39)56-51-23-13-8-18-43(51)44-19-9-14-24-52(44)56;/h5-34H,1-4H3;1H4.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-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-(2-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;methane is sourced from PubChem (CID 159602071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).