4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine

C64H53N3 — CID 66837995

IUPAC4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
SMILESCC1=CCC(N(c2ccccc2)c2ccc(N(C3=CCCC=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)C=C1
InChIInChI=1S/C64H53N3/c1-44-27-32-50(33-28-44)66(49-21-11-6-12-22-49)62-40-37-52(65(48-19-9-5-10-20-48)53-36-38-55-54-23-13-15-25-59(54)64(2,3)60(55)43-53)42-57(62)47-31-39-63-58(41-47)56-24-14-16-26-61(56)67(63)51-34-29-46(30-35-51)45-17-7-4-8-18-45/h4,6-9,11-32,34-43,50H,5,10,33H2,1-3H3
InChIKeySFZMAZDOHABWIE-UHFFFAOYSA-N
MW864.15 g/mol
LogP17.21
Rot. Bonds9

About 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine

4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine (PubChem CID 66837995) has the molecular formula C64H53N3 and a molecular weight of 864.15 g/mol. Its IUPAC name is 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
PubChem CID66837995
Molecular FormulaC64H53N3
Molecular Weight864.15 g/mol
Exact Mass863.42
IUPAC Name4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
SMILESCC1=CCC(N(c2ccccc2)c2ccc(N(C3=CCCC=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)C=C1
InChIInChI=1S/C64H53N3/c1-44-27-32-50(33-28-44)66(49-21-11-6-12-22-49)62-40-37-52(65(48-19-9-5-10-20-48)53-36-38-55-54-23-13-15-25-59(54)64(2,3)60(55)43-53)42-57(62)47-31-39-63-58(41-47)56-24-14-16-26-61(56)67(63)51-34-29-46(30-35-51)45-17-7-4-8-18-45/h4,6-9,11-32,34-43,50H,5,10,33H2,1-3H3
InChIKeySFZMAZDOHABWIE-UHFFFAOYSA-N
XLogP17.21
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.15
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine with MolForge

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Related Compounds

4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 87174608
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-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
N-cyclohexa-1,5-dien-1-yl-4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N-phenylaniline
CID 170265538
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
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-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]triphenylen-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 159307358
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine (CID 66837995) is 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine is CC1=CCC(N(c2ccccc2)c2ccc(N(C3=CCCC=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)C=C1.
What is the InChIKey of 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine?
The InChIKey is SFZMAZDOHABWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H53N3/c1-44-27-32-50(33-28-44)66(49-21-11-6-12-22-49)62-40-37-52(65(48-19-9-5-10-20-48)53-36-38-55-54-23-13-15-25-59(54)64(2,3)60(55)43-53)42-57(62)47-31-39-63-58(41-47)56-24-14-16-26-61(56)67(63)51-34-29-46(30-35-51)45-17-7-4-8-18-45/h4,6-9,11-32,34-43,50H,5,10,33H2,1-3H3.
What are the key properties of 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine?
4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine has a molecular weight of 864.15 g/mol, XLogP of 17.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexa-1,5-dien-1-yl-4-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine is sourced from PubChem (CID 66837995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).