ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane

C66H79N3 — CID 145318390

IUPACethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane
SMILESCC.CC.CC.CC.CCC.CNC.Cc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)ccc1-c1ccc(-c2ccc(N(c3ccccc3)C3C=CC=C4C=CC=CC43)cc2)cc1
InChIInChI=1S/C53H40N2.C3H8.C2H7N.4C2H6/c1-37-35-42(43-30-34-50-49-20-10-11-21-52(49)55(53(50)36-43)45-17-6-3-7-18-45)29-33-47(37)41-25-23-38(24-26-41)39-27-31-46(32-28-39)54(44-15-4-2-5-16-44)51-22-12-14-40-13-8-9-19-48(40)51;2*1-3-2;4*1-2/h2-36,48,51H,1H3;3H2,1-2H3;3H,1-2H3;4*1-2H3
InChIKeyOEXBXAZHIOJGRT-UHFFFAOYSA-N
MW914.38 g/mol
LogP19.19
Rot. Bonds7

About ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane

ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane (PubChem CID 145318390) has the molecular formula C66H79N3 and a molecular weight of 914.38 g/mol. Its IUPAC name is ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane.

Molecular Properties

Compound Nameethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane
PubChem CID145318390
Molecular FormulaC66H79N3
Molecular Weight914.38 g/mol
Exact Mass913.63
IUPAC Nameethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane
SMILESCC.CC.CC.CC.CCC.CNC.Cc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)ccc1-c1ccc(-c2ccc(N(c3ccccc3)C3C=CC=C4C=CC=CC43)cc2)cc1
InChIInChI=1S/C53H40N2.C3H8.C2H7N.4C2H6/c1-37-35-42(43-30-34-50-49-20-10-11-21-52(49)55(53(50)36-43)45-17-6-3-7-18-45)29-33-47(37)41-25-23-38(24-26-41)39-27-31-46(32-28-39)54(44-15-4-2-5-16-44)51-22-12-14-40-13-8-9-19-48(40)51;2*1-3-2;4*1-2/h2-36,48,51H,1H3;3H2,1-2H3;3H,1-2H3;4*1-2H3
InChIKeyOEXBXAZHIOJGRT-UHFFFAOYSA-N
XLogP19.19
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.38
LogP ≤ 519.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 20728828
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)amino]phenyl]phenyl]-9-phenylcarbazol-3-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 165019490
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline
CID 70676513
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane?
The IUPAC name of ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane (CID 145318390) is ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane.
What is the SMILES notation for ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane?
The canonical SMILES for ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane is CC.CC.CC.CC.CCC.CNC.Cc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)ccc1-c1ccc(-c2ccc(N(c3ccccc3)C3C=CC=C4C=CC=CC43)cc2)cc1.
What is the InChIKey of ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane?
The InChIKey is OEXBXAZHIOJGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2.C3H8.C2H7N.4C2H6/c1-37-35-42(43-30-34-50-49-20-10-11-21-52(49)55(53(50)36-43)45-17-6-3-7-18-45)29-33-47(37)41-25-23-38(24-26-41)39-27-31-46(32-28-39)54(44-15-4-2-5-16-44)51-22-12-14-40-13-8-9-19-48(40)51;2*1-3-2;4*1-2/h2-36,48,51H,1H3;3H2,1-2H3;3H,1-2H3;4*1-2H3.
What are the key properties of ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane?
ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane has a molecular weight of 914.38 g/mol, XLogP of 19.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanamine;N-[4-[4-[2-methyl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenyl-1,8a-dihydronaphthalen-1-amine;propane is sourced from PubChem (CID 145318390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).