N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine

C54H48N2 — CID 130203663

IUPACN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)cc21
InChIInChI=1S/C54H48N2/c1-53(2)51-6-4-3-5-49(51)50-24-23-48(32-52(50)53)56(47-21-15-43(16-22-47)44-25-27-55-28-26-44)46-19-13-42(14-20-46)40-9-7-39(8-10-40)41-11-17-45(18-12-41)54-33-36-29-37(34-54)31-38(30-36)35-54/h3-28,32,36-38H,29-31,33-35H2,1-2H3
InChIKeyIAORZHMIPHVRCL-UHFFFAOYSA-N
MW724.99 g/mol
LogP14.33
Rot. Bonds7

About N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine (PubChem CID 130203663) has the molecular formula C54H48N2 and a molecular weight of 724.99 g/mol. Its IUPAC name is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
PubChem CID130203663
Molecular FormulaC54H48N2
Molecular Weight724.99 g/mol
Exact Mass724.38
IUPAC NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)cc21
InChIInChI=1S/C54H48N2/c1-53(2)51-6-4-3-5-49(51)50-24-23-48(32-52(50)53)56(47-21-15-43(16-22-47)44-25-27-55-28-26-44)46-19-13-42(14-20-46)40-9-7-39(8-10-40)41-11-17-45(18-12-41)54-33-36-29-37(34-54)31-38(30-36)35-54/h3-28,32,36-38H,29-31,33-35H2,1-2H3
InChIKeyIAORZHMIPHVRCL-UHFFFAOYSA-N
XLogP14.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.99
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 130203887
N-[4-[7-(1-adamantyl)-9,9-dimethylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145346070
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-(4-pyrido[2,3-b]indol-9-ylphenyl)fluoren-2-amine
CID 130203953

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine (CID 130203663) is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)cc21.
What is the InChIKey of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine?
The InChIKey is IAORZHMIPHVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N2/c1-53(2)51-6-4-3-5-49(51)50-24-23-48(32-52(50)53)56(47-21-15-43(16-22-47)44-25-27-55-28-26-44)46-19-13-42(14-20-46)40-9-7-39(8-10-40)41-11-17-45(18-12-41)54-33-36-29-37(34-54)31-38(30-36)35-54/h3-28,32,36-38H,29-31,33-35H2,1-2H3.
What are the key properties of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine?
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine has a molecular weight of 724.99 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 130203663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).