N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine

C58H45N — CID 170666047

IUPACN-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C58H45N/c1-57(2)50-30-15-13-24-43(50)45-34-33-40(37-52(45)57)59(53-36-35-41(38-19-7-5-8-20-38)42-23-11-12-26-46(42)53)54-32-18-27-47(55(54)39-21-9-6-10-22-39)49-29-17-28-48-44-25-14-16-31-51(44)58(3,4)56(48)49/h5-37H,1-4H3
InChIKeyPOSUXHLDQMMCKE-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.92
Rot. Bonds6

About N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine

N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine (PubChem CID 170666047) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
PubChem CID170666047
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C58H45N/c1-57(2)50-30-15-13-24-43(50)45-34-33-40(37-52(45)57)59(53-36-35-41(38-19-7-5-8-20-38)42-23-11-12-26-46(42)53)54-32-18-27-47(55(54)39-21-9-6-10-22-39)49-29-17-28-48-44-25-14-16-31-51(44)58(3,4)56(48)49/h5-37H,1-4H3
InChIKeyPOSUXHLDQMMCKE-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285846
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine (CID 170666047) is N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3-c3ccccc3)c3ccc(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine?
The InChIKey is POSUXHLDQMMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)50-30-15-13-24-43(50)45-34-33-40(37-52(45)57)59(53-36-35-41(38-19-7-5-8-20-38)42-23-11-12-26-46(42)53)54-32-18-27-47(55(54)39-21-9-6-10-22-39)49-29-17-28-48-44-25-14-16-31-51(44)58(3,4)56(48)49/h5-37H,1-4H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine?
N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine has a molecular weight of 756.01 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170666047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).