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

C63H46N2 — CID 163564049

IUPACN-(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
SMILESCc1ccc2c(-c3c4c(c(N(C5=CCCC=C5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc35)CCC=C4)c3ccccc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C63H46N2/c1-41-34-39-54-57(40-41)60(49-31-17-19-42-18-5-6-22-46(42)49)50-25-7-8-26-51(50)61(54)62-52-27-9-11-29-55(52)63(56-30-12-10-28-53(56)62)64(43-20-3-2-4-21-43)44-35-37-45(38-36-44)65-58-32-15-13-23-47(58)48-24-14-16-33-59(48)65/h3,5-11,13-29,31-40H,2,4,12,30H2,1H3
InChIKeyFTRHUAGHFJHCRL-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.37
Rot. Bonds6

About 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

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 (PubChem CID 163564049) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163564049
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC NameN-(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
SMILESCc1ccc2c(-c3c4c(c(N(C5=CCCC=C5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc35)CCC=C4)c3ccccc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C63H46N2/c1-41-34-39-54-57(40-41)60(49-31-17-19-42-18-5-6-22-46(42)49)50-25-7-8-26-51(50)61(54)62-52-27-9-11-29-55(52)63(56-30-12-10-28-53(56)62)64(43-20-3-2-4-21-43)44-35-37-45(38-36-44)65-58-32-15-13-23-47(58)48-24-14-16-33-59(48)65/h3,5-11,13-29,31-40H,2,4,12,30H2,1H3
InChIKeyFTRHUAGHFJHCRL-UHFFFAOYSA-N
XLogP17.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 517.37
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-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine
CID 143399100
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
N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine
CID 59010583
N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine
CID 134236286
9-[4-[6-(4-carbazol-9-ylphenyl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]aniline;3-methyl-4-[10-[2-methyl-4-(N-phenylanilino)phenyl]-2,6-dinaphthalen-1-ylanthracen-9-yl]-N,N-diphenylaniline
CID 157342291
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051
N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 144907544
N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline
CID 167144567
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine
CID 167282097
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 90336200
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(-c3c4c(c(N(C5=CCCC=C5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc35)CCC=C4)c3ccccc3c(-c3cccc4ccccc34)c2c1.
What is the InChIKey of 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?
The InChIKey is FTRHUAGHFJHCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-41-34-39-54-57(40-41)60(49-31-17-19-42-18-5-6-22-46(42)49)50-25-7-8-26-51(50)61(54)62-52-27-9-11-29-55(52)63(56-30-12-10-28-53(56)62)64(43-20-3-2-4-21-43)44-35-37-45(38-36-44)65-58-32-15-13-23-47(58)48-24-14-16-33-59(48)65/h3,5-11,13-29,31-40H,2,4,12,30H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 831.08 g/mol, XLogP of 17.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163564049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).