3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine

C55H48N2 — CID 23593401

IUPAC3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine
SMILESCc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc(N(C)c5ccc(C)cc5C)ccc3C4(c3ccccc3)c3ccccc3)c3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C55H48N2/c1-37-17-21-42(22-18-37)43-23-25-46(26-24-43)57(54-32-20-39(3)34-41(54)5)48-28-30-52-50(36-48)49-35-47(56(6)53-31-19-38(2)33-40(53)4)27-29-51(49)55(52,44-13-9-7-10-14-44)45-15-11-8-12-16-45/h7-36H,1-6H3
InChIKeyMSPCZIZXBKEVBO-UHFFFAOYSA-N
MW737.00 g/mol
LogP14.50
Rot. Bonds8

About 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine

3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine (PubChem CID 23593401) has the molecular formula C55H48N2 and a molecular weight of 737.00 g/mol. Its IUPAC name is 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine
PubChem CID23593401
Molecular FormulaC55H48N2
Molecular Weight737.00 g/mol
Exact Mass736.38
IUPAC Name3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine
SMILESCc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc(N(C)c5ccc(C)cc5C)ccc3C4(c3ccccc3)c3ccccc3)c3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C55H48N2/c1-37-17-21-42(22-18-37)43-23-25-46(26-24-43)57(54-32-20-39(3)34-41(54)5)48-28-30-52-50(36-48)49-35-47(56(6)53-31-19-38(2)33-40(53)4)27-29-51(49)55(52,44-13-9-7-10-14-44)45-15-11-8-12-16-45/h7-36H,1-6H3
InChIKeyMSPCZIZXBKEVBO-UHFFFAOYSA-N
XLogP14.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.00
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381269
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465
N-[4-[[4-[N-(2,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenyl]-dimethylsilyl]phenyl]-N,2,4-trimethylaniline
CID 23593138
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 159388260
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine (CID 23593401) is 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine is Cc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cc(N(C)c5ccc(C)cc5C)ccc3C4(c3ccccc3)c3ccccc3)c3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine?
The InChIKey is MSPCZIZXBKEVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N2/c1-37-17-21-42(22-18-37)43-23-25-46(26-24-43)57(54-32-20-39(3)34-41(54)5)48-28-30-52-50(36-48)49-35-47(56(6)53-31-19-38(2)33-40(53)4)27-29-51(49)55(52,44-13-9-7-10-14-44)45-15-11-8-12-16-45/h7-36H,1-6H3.
What are the key properties of 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine?
3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine has a molecular weight of 737.00 g/mol, XLogP of 14.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(2,4-dimethylphenyl)-6-N-methyl-3-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluorene-3,6-diamine is sourced from PubChem (CID 23593401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).