N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine

C50H43N — CID 169028316

IUPACN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(C45CCC(CC4)C5)cc3)c3cccc(-c4cccc5cccc(-c6ccccc6)c45)c3)cccc21
InChIInChI=1S/C50H43N/c1-49(2)44-21-7-6-18-43(44)48-45(49)22-11-23-46(48)51(39-26-24-38(25-27-39)50-30-28-34(33-50)29-31-50)40-17-8-16-37(32-40)42-20-10-15-36-14-9-19-41(47(36)42)35-12-4-3-5-13-35/h3-27,32,34H,28-31,33H2,1-2H3
InChIKeyDXFRKVPSKLQQKW-UHFFFAOYSA-N
MW657.90 g/mol
LogP13.78
Rot. Bonds6

About N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine

N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine (PubChem CID 169028316) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
PubChem CID169028316
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC NameN-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(C45CCC(CC4)C5)cc3)c3cccc(-c4cccc5cccc(-c6ccccc6)c45)c3)cccc21
InChIInChI=1S/C50H43N/c1-49(2)44-21-7-6-18-43(44)48-45(49)22-11-23-46(48)51(39-26-24-38(25-27-39)50-30-28-34(33-50)29-31-50)40-17-8-16-37(32-40)42-20-10-15-36-14-9-19-41(47(36)42)35-12-4-3-5-13-35/h3-27,32,34H,28-31,33H2,1-2H3
InChIKeyDXFRKVPSKLQQKW-UHFFFAOYSA-N
XLogP13.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[4-(1-adamantyl)phenyl]-3-N-(9,9-dimethylfluoren-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 155421662
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]-3-(9,9-dimethylfluoren-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170115491
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-4-amine
CID 162222684
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
N-[4-[4-(1-adamantyl)phenyl]-2,6-dimethylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181901
N-[3-(3-fluoranthen-8-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499112
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
CID 169028376

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The IUPAC name of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine (CID 169028316) is N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(C45CCC(CC4)C5)cc3)c3cccc(-c4cccc5cccc(-c6ccccc6)c45)c3)cccc21.
What is the InChIKey of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
The InChIKey is DXFRKVPSKLQQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N/c1-49(2)44-21-7-6-18-43(44)48-45(49)22-11-23-46(48)51(39-26-24-38(25-27-39)50-30-28-34(33-50)29-31-50)40-17-8-16-37(32-40)42-20-10-15-36-14-9-19-41(47(36)42)35-12-4-3-5-13-35/h3-27,32,34H,28-31,33H2,1-2H3.
What are the key properties of N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine?
N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine has a molecular weight of 657.90 g/mol, XLogP of 13.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169028316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).