N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine

C45H49N — CID 154592851

IUPACN-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine
SMILESCc1cccc(N(Cc2ccccc2-c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)c1
InChIInChI=1S/C45H49N/c1-29-14-13-16-33(24-29)46(34-20-22-37-36-21-18-30(2)25-39(36)42(3,4)40(37)27-34)28-32-15-11-12-17-35(32)31-19-23-38-41(26-31)44(7,8)45(9,10)43(38,5)6/h11-27H,28H2,1-10H3
InChIKeyARDDVUQFXRGRAO-UHFFFAOYSA-N
MW603.89 g/mol
LogP12.21
Rot. Bonds5

About N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine

N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine (PubChem CID 154592851) has the molecular formula C45H49N and a molecular weight of 603.89 g/mol. Its IUPAC name is N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine
PubChem CID154592851
Molecular FormulaC45H49N
Molecular Weight603.89 g/mol
Exact Mass603.39
IUPAC NameN-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine
SMILESCc1cccc(N(Cc2ccccc2-c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)c1
InChIInChI=1S/C45H49N/c1-29-14-13-16-33(24-29)46(34-20-22-37-36-21-18-30(2)25-39(36)42(3,4)40(37)27-34)28-32-15-11-12-17-35(32)31-19-23-38-41(26-31)44(7,8)45(9,10)43(38,5)6/h11-27H,28H2,1-10H3
InChIKeyARDDVUQFXRGRAO-UHFFFAOYSA-N
XLogP12.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.89
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
1,1,2,2,3,3-hexamethyl-5-[2-[(4-methylphenyl)methyl]phenyl]indene
CID 147159492
N-[4-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177084420
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428412
N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 177269838
N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 137388127
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
9,9-dimethyl-N-(4-methylphenyl)-N-phenylfluoren-2-amine;6-methyl-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-(3-methylphenyl)-N,N-diphenylaniline;4-(4-methylphenyl)-N,N-diphenylaniline;2,9,9-trimethylfluorene;2,9,9-trimethyl-6-phenylfluorene
CID 160965703
2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154982020
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine?
The IUPAC name of N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine (CID 154592851) is N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine?
The canonical SMILES for N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine is Cc1cccc(N(Cc2ccccc2-c2ccc3c(c2)C(C)(C)C(C)(C)C3(C)C)c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)c1.
What is the InChIKey of N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine?
The InChIKey is ARDDVUQFXRGRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H49N/c1-29-14-13-16-33(24-29)46(34-20-22-37-36-21-18-30(2)25-39(36)42(3,4)40(37)27-34)28-32-15-11-12-17-35(32)31-19-23-38-41(26-31)44(7,8)45(9,10)43(38,5)6/h11-27H,28H2,1-10H3.
What are the key properties of N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine?
N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine has a molecular weight of 603.89 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]methyl]-7,9,9-trimethyl-N-(3-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 154592851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).