N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine

C69H56N2 — CID 143399053

IUPACN-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine
SMILESCc1ccc2c(-c3c4ccccc4c(N(C4=CCCC=C4)c4ccc(-n5c6c(c7ccccc75)C(C)CC=C6)cc4)c4ccccc34)c3c(c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2c1)=CCCC=3
InChIInChI=1S/C69H56N2/c1-43-33-39-55-59(41-43)65(45-34-40-50-49-22-14-16-30-60(49)69(3,4)61(50)42-45)51-23-8-9-24-52(51)66(55)67-53-25-10-12-27-56(53)68(57-28-13-11-26-54(57)67)70(46-20-6-5-7-21-46)47-35-37-48(38-36-47)71-62-31-17-15-29-58(62)64-44(2)19-18-32-63(64)71/h6,10-18,20-42,44H,5,7-9,19H2,1-4H3
InChIKeyZKMAWJSPNMYLEL-UHFFFAOYSA-N
MW913.22 g/mol
LogP17.29
Rot. Bonds6

About N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine

N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine (PubChem CID 143399053) has the molecular formula C69H56N2 and a molecular weight of 913.22 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine
PubChem CID143399053
Molecular FormulaC69H56N2
Molecular Weight913.22 g/mol
Exact Mass912.44
IUPAC NameN-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine
SMILESCc1ccc2c(-c3c4ccccc4c(N(C4=CCCC=C4)c4ccc(-n5c6c(c7ccccc75)C(C)CC=C6)cc4)c4ccccc34)c3c(c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2c1)=CCCC=3
InChIInChI=1S/C69H56N2/c1-43-33-39-55-59(41-43)65(45-34-40-50-49-22-14-16-30-60(49)69(3,4)61(50)42-45)51-23-8-9-24-52(51)66(55)67-53-25-10-12-27-56(53)68(57-28-13-11-26-54(57)67)70(46-20-6-5-7-21-46)47-35-37-48(38-36-47)71-62-31-17-15-29-58(62)64-44(2)19-18-32-63(64)71/h6,10-18,20-42,44H,5,7-9,19H2,1-4H3
InChIKeyZKMAWJSPNMYLEL-UHFFFAOYSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.22
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbazol-9-ylphenyl)-7-[10-(9,9-dimethylfluoren-2-yl)-2-methylanthracen-9-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 161254019
N-(4-carbazol-9-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-N-phenylnaphthalen-1-amine
CID 161429717
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-7-[2-methyl-10-(2-phenylphenyl)anthracen-9-yl]-N-phenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-7-[3-methyl-10-(2-phenylphenyl)anthracen-9-yl]-N-phenylfluoren-2-amine
CID 160917287
N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-10-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)-1,2-dihydroanthracen-9-amine
CID 163564049
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 58383998
2-N-cyclohexa-1,5-dien-1-yl-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-1-yl-6-N-phenylanthracene-2,6-diamine
CID 89061140
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
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6-methyl-9-phenylcarbazol-3-yl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58384021
N-cyclohexa-1,5-dien-1-yl-4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N-phenylaniline
CID 170265538
N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472317
4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
CID 144884300

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine (CID 143399053) is N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine is Cc1ccc2c(-c3c4ccccc4c(N(C4=CCCC=C4)c4ccc(-n5c6c(c7ccccc75)C(C)CC=C6)cc4)c4ccccc34)c3c(c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2c1)=CCCC=3.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine?
The InChIKey is ZKMAWJSPNMYLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N2/c1-43-33-39-55-59(41-43)65(45-34-40-50-49-22-14-16-30-60(49)69(3,4)61(50)42-45)51-23-8-9-24-52(51)66(55)67-53-25-10-12-27-56(53)68(57-28-13-11-26-54(57)67)70(46-20-6-5-7-21-46)47-35-37-48(38-36-47)71-62-31-17-15-29-58(62)64-44(2)19-18-32-63(64)71/h6,10-18,20-42,44H,5,7-9,19H2,1-4H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine?
N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine has a molecular weight of 913.22 g/mol, XLogP of 17.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-10-[10-(9,9-dimethylfluoren-2-yl)-6-methyl-2,3-dihydroanthracen-9-yl]-N-[4-(4-methyl-3,4-dihydrocarbazol-9-yl)phenyl]anthracen-9-amine is sourced from PubChem (CID 143399053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).