N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine

C76H56N2 — CID 146569131

IUPACN-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6C5=CCC(c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)C=C5)c4)c3)ccc21
InChIInChI=1S/C76H56N2/c1-75(2)68-35-15-12-31-63(68)66-50-61(44-45-69(66)75)77(58-28-10-5-11-29-58)60-30-19-23-54(48-60)52-21-18-22-53(47-52)55-41-46-73-67(49-55)64-32-14-17-38-72(64)78(73)59-42-39-51(40-43-59)62-34-20-37-71-74(62)65-33-13-16-36-70(65)76(71,56-24-6-3-7-25-56)57-26-8-4-9-27-57/h3-39,41-51H,40H2,1-2H3
InChIKeyMPWZVJIHIOGEQF-UHFFFAOYSA-N
MW997.30 g/mol
LogP19.85
Rot. Bonds9

About N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine

N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine (PubChem CID 146569131) has the molecular formula C76H56N2 and a molecular weight of 997.30 g/mol. Its IUPAC name is N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
PubChem CID146569131
Molecular FormulaC76H56N2
Molecular Weight997.30 g/mol
Exact Mass996.44
IUPAC NameN-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6C5=CCC(c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)C=C5)c4)c3)ccc21
InChIInChI=1S/C76H56N2/c1-75(2)68-35-15-12-31-63(68)66-50-61(44-45-69(66)75)77(58-28-10-5-11-29-58)60-30-19-23-54(48-60)52-21-18-22-53(47-52)55-41-46-73-67(49-55)64-32-14-17-38-72(64)78(73)59-42-39-51(40-43-59)62-34-20-37-71-74(62)65-33-13-16-36-70(65)76(71,56-24-6-3-7-25-56)57-26-8-4-9-27-57/h3-39,41-51H,40H2,1-2H3
InChIKeyMPWZVJIHIOGEQF-UHFFFAOYSA-N
XLogP19.85
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.30
LogP ≤ 519.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine with MolForge

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Related Compounds

N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558
9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 122524701
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 157239139
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 162087677
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 121423814
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 158465286
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]isoquinolin-4-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine
CID 158876889
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
The IUPAC name of N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine (CID 146569131) is N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine.
What is the SMILES notation for N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
The canonical SMILES for N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6C5=CCC(c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)C=C5)c4)c3)ccc21.
What is the InChIKey of N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
The InChIKey is MPWZVJIHIOGEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N2/c1-75(2)68-35-15-12-31-63(68)66-50-61(44-45-69(66)75)77(58-28-10-5-11-29-58)60-30-19-23-54(48-60)52-21-18-22-53(47-52)55-41-46-73-67(49-55)64-32-14-17-38-72(64)78(73)59-42-39-51(40-43-59)62-34-20-37-71-74(62)65-33-13-16-36-70(65)76(71,56-24-6-3-7-25-56)57-26-8-4-9-27-57/h3-39,41-51H,40H2,1-2H3.
What are the key properties of N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine has a molecular weight of 997.30 g/mol, XLogP of 19.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[9-[4-(9,9-diphenylfluoren-4-yl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine is sourced from PubChem (CID 146569131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).