N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine

C47H35N — CID 155305035

IUPACN-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C47H35N/c1-47(2)44-29-35(33-15-7-4-8-16-33)23-27-41(44)42-28-26-38(31-45(42)47)48(37-24-21-34(22-25-37)32-13-5-3-6-14-32)46-30-36-17-9-10-18-39(36)40-19-11-12-20-43(40)46/h3-31H,1-2H3
InChIKeyYKUHGDHNYIIKRM-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

About N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine

N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 155305035) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID155305035
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC NameN-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C47H35N/c1-47(2)44-29-35(33-15-7-4-8-16-33)23-27-41(44)42-28-26-38(31-45(42)47)48(37-24-21-34(22-25-37)32-13-5-3-6-14-32)46-30-36-17-9-10-18-39(36)40-19-11-12-20-43(40)46/h3-31H,1-2H3
InChIKeyYKUHGDHNYIIKRM-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.10
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-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
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-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenanthren-9-amine
CID 164843697
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 162086645
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706
9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58050385
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464
10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine
CID 170410839

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine (CID 155305035) is N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is YKUHGDHNYIIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)44-29-35(33-15-7-4-8-16-33)23-27-41(44)42-28-26-38(31-45(42)47)48(37-24-21-34(22-25-37)32-13-5-3-6-14-32)46-30-36-17-9-10-18-39(36)40-19-11-12-20-43(40)46/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 613.80 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155305035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).