N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine

C58H44N2 — CID 139568366

IUPACN-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)cc4ccccc34)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C58H44N2/c1-57(2)48-28-13-8-25-45(48)55-49(57)29-18-33-53(55)60(54-34-17-26-44-40-21-7-12-27-47(40)58(3,4)56(44)54)52-32-16-11-24-43(52)46-36-38(35-37-19-5-6-20-39(37)46)59-50-30-14-9-22-41(50)42-23-10-15-31-51(42)59/h5-36H,1-4H3
InChIKeyDPEHVASUDIYEOX-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.69
Rot. Bonds5

About N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine

N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine (PubChem CID 139568366) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine
PubChem CID139568366
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC NameN-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)cc4ccccc34)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C58H44N2/c1-57(2)48-28-13-8-25-45(48)55-49(57)29-18-33-53(55)60(54-34-17-26-44-40-21-7-12-27-47(40)58(3,4)56(44)54)52-32-16-11-24-43(52)46-36-38(35-37-19-5-6-20-39(37)46)59-50-30-14-9-22-41(50)42-23-10-15-31-51(42)59/h5-36H,1-4H3
InChIKeyDPEHVASUDIYEOX-UHFFFAOYSA-N
XLogP15.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 168809228
N-(7-carbazol-9-ylnaphthalen-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine;N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine;N-[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 159798759
N-[4-(6-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568107
N-(6-carbazol-9-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139567875
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 170142818
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170304142
17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033638
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 168809274
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine (CID 139568366) is N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cc(-n4c5ccccc5c5ccccc54)cc4ccccc34)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine?
The InChIKey is DPEHVASUDIYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-57(2)48-28-13-8-25-45(48)55-49(57)29-18-33-53(55)60(54-34-17-26-44-40-21-7-12-27-47(40)58(3,4)56(44)54)52-32-16-11-24-43(52)46-36-38(35-37-19-5-6-20-39(37)46)59-50-30-14-9-22-41(50)42-23-10-15-31-51(42)59/h5-36H,1-4H3.
What are the key properties of N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine?
N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine has a molecular weight of 769.00 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 139568366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).