9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine

C50H47N — CID 154961866

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C56CCC7CCC(CC7C5)C6)cc4)cc3)cc21
InChIInChI=1S/C50H47N/c1-49(2)47-11-7-6-10-45(47)46-27-26-44(31-48(46)49)51(42-22-16-37(17-23-42)35-8-4-3-5-9-35)43-24-18-38(19-25-43)36-14-20-41(21-15-36)50-29-28-39-13-12-34(32-50)30-40(39)33-50/h3-11,14-27,31,34,39-40H,12-13,28-30,32-33H2,1-2H3
InChIKeyQQKYGRLRFOQZQE-UHFFFAOYSA-N
MW661.93 g/mol
LogP13.65
Rot. Bonds6

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 154961866) has the molecular formula C50H47N and a molecular weight of 661.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine
PubChem CID154961866
Molecular FormulaC50H47N
Molecular Weight661.93 g/mol
Exact Mass661.37
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C56CCC7CCC(CC7C5)C6)cc4)cc3)cc21
InChIInChI=1S/C50H47N/c1-49(2)47-11-7-6-10-45(47)46-27-26-44(31-48(46)49)51(42-22-16-37(17-23-42)35-8-4-3-5-9-35)43-24-18-38(19-25-43)36-14-20-41(21-15-36)50-29-28-39-13-12-34(32-50)30-40(39)33-50/h3-11,14-27,31,34,39-40H,12-13,28-30,32-33H2,1-2H3
InChIKeyQQKYGRLRFOQZQE-UHFFFAOYSA-N
XLogP13.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.93
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
7-N-[4-(1-adamantyl)phenyl]-3-N,7-N-bis(9,9-dimethylfluoren-2-yl)-3-N-[4-(6-tricyclo[4.3.1.03,8]decanyl)phenyl]dibenzofuran-3,7-diamine
CID 163640998
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663
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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
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-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine (CID 154961866) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C56CCC7CCC(CC7C5)C6)cc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is QQKYGRLRFOQZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47N/c1-49(2)47-11-7-6-10-45(47)46-27-26-44(31-48(46)49)51(42-22-16-37(17-23-42)35-8-4-3-5-9-35)43-24-18-38(19-25-43)36-14-20-41(21-15-36)50-29-28-39-13-12-34(32-50)30-40(39)33-50/h3-11,14-27,31,34,39-40H,12-13,28-30,32-33H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 661.93 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1-tricyclo[5.3.1.04,9]undecanyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 154961866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).