N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine

C49H35N — CID 139498840

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c5c(cccc35)-c3ccccc3-4)cccc21
InChIInChI=1S/C49H35N/c1-49(2)43-19-9-8-16-41(43)48-44(49)20-11-21-46(48)50(45-31-30-40-38-15-7-6-14-37(38)39-17-10-18-42(45)47(39)40)36-28-26-35(27-29-36)34-24-22-33(23-25-34)32-12-4-3-5-13-32/h3-31H,1-2H3
InChIKeyKDLXBXRLGHLMNM-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.60
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine

N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine (PubChem CID 139498840) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
PubChem CID139498840
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c5c(cccc35)-c3ccccc3-4)cccc21
InChIInChI=1S/C49H35N/c1-49(2)43-19-9-8-16-41(43)48-44(49)20-11-21-46(48)50(45-31-30-40-38-15-7-6-14-37(38)39-17-10-18-42(45)47(39)40)36-28-26-35(27-29-36)34-24-22-33(23-25-34)32-12-4-3-5-13-32/h3-31H,1-2H3
InChIKeyKDLXBXRLGHLMNM-UHFFFAOYSA-N
XLogP13.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoren-4-amine
CID 139499292
12-N-(9,9-dimethylfluoren-4-yl)-6-N,6-N-diphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855797
N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139498916
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499291
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139498923
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine (CID 139498840) is N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c5c(cccc35)-c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine?
The InChIKey is KDLXBXRLGHLMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-49(2)43-19-9-8-16-41(43)48-44(49)20-11-21-46(48)50(45-31-30-40-38-15-7-6-14-37(38)39-17-10-18-42(45)47(39)40)36-28-26-35(27-29-36)34-24-22-33(23-25-34)32-12-4-3-5-13-32/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine has a molecular weight of 637.83 g/mol, XLogP of 13.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine is sourced from PubChem (CID 139498840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).