N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine

C56H43N — CID 170215462

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc21
InChIInChI=1S/C56H43N/c1-55(2)51-24-9-7-18-47(51)49-33-31-41(35-53(49)55)57(40-16-11-15-38(34-40)43-20-12-22-45-42-17-6-5-14-36(42)28-32-46(43)45)39-29-26-37(27-30-39)44-21-13-23-50-48-19-8-10-25-52(48)56(3,4)54(44)50/h5-35H,1-4H3
InChIKeyYGDSMQDBDPJUJX-UHFFFAOYSA-N
MW729.97 g/mol
LogP15.41
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine (PubChem CID 170215462) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
PubChem CID170215462
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc21
InChIInChI=1S/C56H43N/c1-55(2)51-24-9-7-18-47(51)49-33-31-41(35-53(49)55)57(40-16-11-15-38(34-40)43-20-12-22-45-42-17-6-5-14-36(42)28-32-46(43)45)39-29-26-37(27-30-39)44-21-13-23-50-48-19-8-10-25-52(48)56(3,4)54(44)50/h5-35H,1-4H3
InChIKeyYGDSMQDBDPJUJX-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 515.41
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-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170140156
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)aniline
CID 170215708
2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170217562
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 170675737
11,11,12,12-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)indeno[2,1-a]fluoren-2-amine
CID 118122816
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 176588375

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine (CID 170215462) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4cccc5c4ccc4ccccc45)c3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine?
The InChIKey is YGDSMQDBDPJUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)51-24-9-7-18-47(51)49-33-31-41(35-53(49)55)57(40-16-11-15-38(34-40)43-20-12-22-45-42-17-6-5-14-36(42)28-32-46(43)45)39-29-26-37(27-30-39)44-21-13-23-50-48-19-8-10-25-52(48)56(3,4)54(44)50/h5-35H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine has a molecular weight of 729.97 g/mol, XLogP of 15.41, 5 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]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 170215462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).