N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine

C52H47N3 — CID 88869751

IUPACN-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine
SMILESCn1c2c(c3ccccc31)=CCC(N(C1=CC=C(C3=CC=C(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)CC3)CC1)c1ccccc1)C=2
InChIInChI=1S/C52H47N3/c1-52(2)48-20-12-10-18-44(48)45-32-30-42(34-49(45)52)54(38-14-6-4-7-15-38)40-26-22-36(23-27-40)37-24-28-41(29-25-37)55(39-16-8-5-9-17-39)43-31-33-47-46-19-11-13-21-50(46)53(3)51(47)35-43/h4-22,24,26,28,30,32-35,43H,23,25,27,29,31H2,1-3H3
InChIKeyDHLZMVVJDQGDLD-UHFFFAOYSA-N
MW713.97 g/mol
LogP11.37
Rot. Bonds7

About N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine

N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine (PubChem CID 88869751) has the molecular formula C52H47N3 and a molecular weight of 713.97 g/mol. Its IUPAC name is N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine
PubChem CID88869751
Molecular FormulaC52H47N3
Molecular Weight713.97 g/mol
Exact Mass713.38
IUPAC NameN-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine
SMILESCn1c2c(c3ccccc31)=CCC(N(C1=CC=C(C3=CC=C(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)CC3)CC1)c1ccccc1)C=2
InChIInChI=1S/C52H47N3/c1-52(2)48-20-12-10-18-44(48)45-32-30-42(34-49(45)52)54(38-14-6-4-7-15-38)40-26-22-36(23-27-40)37-24-28-41(29-25-37)55(39-16-8-5-9-17-39)43-31-33-47-46-19-11-13-21-50(46)53(3)51(47)35-43/h4-22,24,26,28,30,32-35,43H,23,25,27,29,31H2,1-3H3
InChIKeyDHLZMVVJDQGDLD-UHFFFAOYSA-N
XLogP11.37
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.97
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine with MolForge

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Related Compounds

N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
N-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)fluoren-2-amine
CID 146509977
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 160633282
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 144623792
N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine
CID 147401277
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
CID 122691770
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 89104265
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9,9-dimethyl-N-[6-methyl-4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-N-phenylfluoren-2-amine
CID 134389254
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(3-phenylindol-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 145064154
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine?
The IUPAC name of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine (CID 88869751) is N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine.
What is the SMILES notation for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine?
The canonical SMILES for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine is Cn1c2c(c3ccccc31)=CCC(N(C1=CC=C(C3=CC=C(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)CC3)CC1)c1ccccc1)C=2.
What is the InChIKey of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine?
The InChIKey is DHLZMVVJDQGDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N3/c1-52(2)48-20-12-10-18-44(48)45-32-30-42(34-49(45)52)54(38-14-6-4-7-15-38)40-26-22-36(23-27-40)37-24-28-41(29-25-37)55(39-16-8-5-9-17-39)43-31-33-47-46-19-11-13-21-50(46)53(3)51(47)35-43/h4-22,24,26,28,30,32-35,43H,23,25,27,29,31H2,1-3H3.
What are the key properties of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine?
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine has a molecular weight of 713.97 g/mol, XLogP of 11.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine is sourced from PubChem (CID 88869751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).