N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine

C57H43N3 — CID 170286545

IUPACN-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(C6=CC=CCC6)c5c4)c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C57H43N3/c1-57(2)49-26-12-9-23-44(49)45-34-32-43(37-50(45)57)58(53-29-16-30-54-56(53)48-25-11-14-28-52(48)59(54)40-18-5-3-6-19-40)42-22-15-17-38(35-42)39-31-33-47-46-24-10-13-27-51(46)60(55(47)36-39)41-20-7-4-8-21-41/h3-7,9-20,22-37H,8,21H2,1-2H3
InChIKeyXYCQFEDNGFDRNL-UHFFFAOYSA-N
MW769.99 g/mol
LogP15.53
Rot. Bonds6

About N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine

N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine (PubChem CID 170286545) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
PubChem CID170286545
Molecular FormulaC57H43N3
Molecular Weight769.99 g/mol
Exact Mass769.35
IUPAC NameN-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(C6=CC=CCC6)c5c4)c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C57H43N3/c1-57(2)49-26-12-9-23-44(49)45-34-32-43(37-50(45)57)58(53-29-16-30-54-56(53)48-25-11-14-28-52(48)59(54)40-18-5-3-6-19-40)42-22-15-17-38(35-42)39-31-33-47-46-24-10-13-27-51(46)60(55(47)36-39)41-20-7-4-8-21-41/h3-7,9-20,22-37H,8,21H2,1-2H3
InChIKeyXYCQFEDNGFDRNL-UHFFFAOYSA-N
XLogP15.53
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 177077839
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
CID 142417757
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 144831028

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine?
The IUPAC name of N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine (CID 170286545) is N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine.
What is the SMILES notation for N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine?
The canonical SMILES for N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(C6=CC=CCC6)c5c4)c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine?
The InChIKey is XYCQFEDNGFDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-57(2)49-26-12-9-23-44(49)45-34-32-43(37-50(45)57)58(53-29-16-30-54-56(53)48-25-11-14-28-52(48)59(54)40-18-5-3-6-19-40)42-22-15-17-38(35-42)39-31-33-47-46-24-10-13-27-51(46)60(55(47)36-39)41-20-7-4-8-21-41/h3-7,9-20,22-37H,8,21H2,1-2H3.
What are the key properties of N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine?
N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine has a molecular weight of 769.99 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine is sourced from PubChem (CID 170286545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).