5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

C50H43N — CID 170538808

IUPAC5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)cc1C2(C)C
InChIInChI=1S/C50H43N/c1-34-13-11-22-47-49(34)46-32-31-41(33-48(46)50(47,2)3)51(40-29-25-38(26-30-40)45-21-12-17-36-16-7-8-18-43(36)45)39-27-23-37(24-28-39)44-20-10-9-19-42(44)35-14-5-4-6-15-35/h4-6,9-15,17,19-33H,7-8,16,18H2,1-3H3
InChIKeyHCEDHQQSUNIGRU-UHFFFAOYSA-N
MW657.90 g/mol
LogP13.65
Rot. Bonds6

About 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170538808) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170538808
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC Name5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)cc1C2(C)C
InChIInChI=1S/C50H43N/c1-34-13-11-22-47-49(34)46-32-31-41(33-48(46)50(47,2)3)51(40-29-25-38(26-30-40)45-21-12-17-36-16-7-8-18-43(36)45)39-27-23-37(24-28-39)44-20-10-9-19-42(44)35-14-5-4-6-15-35/h4-6,9-15,17,19-33H,7-8,16,18H2,1-3H3
InChIKeyHCEDHQQSUNIGRU-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 ≤ 500657.90
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538816
9,9-dimethyl-N,5-diphenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538829
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538705
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538672
9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538744
11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine
CID 170538826
N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538669
5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538703
5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538650
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 176611544
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117407

Frequently Asked Questions

What is the IUPAC name of 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170538808) is 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is Cc1cccc2c1-c1ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)cc1C2(C)C.
What is the InChIKey of 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is HCEDHQQSUNIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N/c1-34-13-11-22-47-49(34)46-32-31-41(33-48(46)50(47,2)3)51(40-29-25-38(26-30-40)45-21-12-17-36-16-7-8-18-43(36)45)39-27-23-37(24-28-39)44-20-10-9-19-42(44)35-14-5-4-6-15-35/h4-6,9-15,17,19-33H,7-8,16,18H2,1-3H3.
What are the key properties of 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 657.90 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 5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).