N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline

C67H49N — CID 170215646

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4cccc5c4ccc4ccccc45)cc3)c21
InChIInChI=1S/C67H49N/c1-66(2)61-28-12-9-22-57(61)60-27-15-24-52(65(60)66)46-33-39-50(40-34-46)68(64-30-14-11-23-59(64)54-26-16-25-53-51-20-8-7-17-45(51)35-41-55(53)54)49-37-31-44(32-38-49)47-36-42-58-56-21-10-13-29-62(56)67(3,63(58)43-47)48-18-5-4-6-19-48/h4-43H,1-3H3
InChIKeyKGFYZNFCQLJWMR-UHFFFAOYSA-N
MW868.14 g/mol
LogP18.10
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline (PubChem CID 170215646) has the molecular formula C67H49N and a molecular weight of 868.14 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline
PubChem CID170215646
Molecular FormulaC67H49N
Molecular Weight868.14 g/mol
Exact Mass867.39
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4cccc5c4ccc4ccccc45)cc3)c21
InChIInChI=1S/C67H49N/c1-66(2)61-28-12-9-22-57(61)60-27-15-24-52(65(60)66)46-33-39-50(40-34-46)68(64-30-14-11-23-59(64)54-26-16-25-53-51-20-8-7-17-45(51)35-41-55(53)54)49-37-31-44(32-38-49)47-36-42-58-56-21-10-13-29-62(56)67(3,63(58)43-47)48-18-5-4-6-19-48/h4-43H,1-3H3
InChIKeyKGFYZNFCQLJWMR-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.14
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 170215627
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)aniline
CID 170215708
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
CID 170217607
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
N-(9-methyl-9-phenylfluoren-2-yl)-6-[3-[2-[2-(N-(9-methyl-9-phenylfluoren-2-yl)-4-phenanthren-1-ylanilino)phenyl]phenyl]-4-phenylphenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-1-amine
CID 170115716
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170217472
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 170217616

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline (CID 170215646) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4cccc5c4ccc4ccccc45)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline?
The InChIKey is KGFYZNFCQLJWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N/c1-66(2)61-28-12-9-22-57(61)60-27-15-24-52(65(60)66)46-33-39-50(40-34-46)68(64-30-14-11-23-59(64)54-26-16-25-53-51-20-8-7-17-45(51)35-41-55(53)54)49-37-31-44(32-38-49)47-36-42-58-56-21-10-13-29-62(56)67(3,63(58)43-47)48-18-5-4-6-19-48/h4-43H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline has a molecular weight of 868.14 g/mol, XLogP of 18.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline is sourced from PubChem (CID 170215646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).