N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine

C70H56N2 — CID 134454981

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(Cc4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cc4)ccc2-3)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C70H56N2/c1-46-27-32-51(33-28-46)71(67-26-16-14-21-56(67)49-17-7-6-8-18-49)53-36-40-61-59-38-31-48(42-64(59)70(4,5)66(61)44-53)41-47-29-34-52(35-30-47)72(68-43-50-19-9-10-20-55(50)57-22-11-12-24-62(57)68)54-37-39-60-58-23-13-15-25-63(58)69(2,3)65(60)45-54/h6-40,42-45H,41H2,1-5H3
InChIKeyRDTOLHQAJPLHTD-UHFFFAOYSA-N
MW925.23 g/mol
LogP19.11
Rot. Bonds9

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine (PubChem CID 134454981) has the molecular formula C70H56N2 and a molecular weight of 925.23 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine
PubChem CID134454981
Molecular FormulaC70H56N2
Molecular Weight925.23 g/mol
Exact Mass924.44
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(Cc4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cc4)ccc2-3)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C70H56N2/c1-46-27-32-51(33-28-46)71(67-26-16-14-21-56(67)49-17-7-6-8-18-49)53-36-40-61-59-38-31-48(42-64(59)70(4,5)66(61)44-53)41-47-29-34-52(35-30-47)72(68-43-50-19-9-10-20-55(50)57-22-11-12-24-62(57)68)54-37-39-60-58-23-13-15-25-63(58)69(2,3)65(60)45-54/h6-40,42-45H,41H2,1-5H3
InChIKeyRDTOLHQAJPLHTD-UHFFFAOYSA-N
XLogP19.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.23
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)phenanthren-9-amine;9,9-dimethyl-N-(4-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine;9,9-dimethyl-N-(4-methylphenyl)-N-(2-phenylphenyl)fluoren-2-amine;4-methyl-N,N-bis(4-phenylphenyl)aniline
CID 158535588
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 118428490
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
9,9-dimethyl-N,7-dinaphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]phenanthren-9-amine;9,9-dimethyl-7-naphthalen-1-yl-N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159564586
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine
CID 155181855
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine (CID 134454981) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine is Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(Cc4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5cc6ccccc6c6ccccc56)cc4)ccc2-3)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine?
The InChIKey is RDTOLHQAJPLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N2/c1-46-27-32-51(33-28-46)71(67-26-16-14-21-56(67)49-17-7-6-8-18-49)53-36-40-61-59-38-31-48(42-64(59)70(4,5)66(61)44-53)41-47-29-34-52(35-30-47)72(68-43-50-19-9-10-20-55(50)57-22-11-12-24-62(57)68)54-37-39-60-58-23-13-15-25-63(58)69(2,3)65(60)45-54/h6-40,42-45H,41H2,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine has a molecular weight of 925.23 g/mol, XLogP of 19.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 134454981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).