N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine

C44H39N — CID 177281251

IUPACN-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)C(C)(C)C)cc21
InChIInChI=1S/C44H39N/c1-42(2,3)45(33-26-27-37-34-20-9-12-23-38(34)43(4,5)41(37)29-33)32-19-15-18-31(28-32)44(30-16-7-6-8-17-30)39-24-13-10-21-35(39)36-22-11-14-25-40(36)44/h6-29H,1-5H3
InChIKeyOOSHISLMCUNJBZ-UHFFFAOYSA-N
MW581.80 g/mol
LogP11.29
Rot. Bonds4

About N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine

N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine (PubChem CID 177281251) has the molecular formula C44H39N and a molecular weight of 581.80 g/mol. Its IUPAC name is N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
PubChem CID177281251
Molecular FormulaC44H39N
Molecular Weight581.80 g/mol
Exact Mass581.31
IUPAC NameN-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)C(C)(C)C)cc21
InChIInChI=1S/C44H39N/c1-42(2,3)45(33-26-27-37-34-20-9-12-23-38(34)43(4,5)41(37)29-33)32-19-15-18-31(28-32)44(30-16-7-6-8-17-30)39-24-13-10-21-35(39)36-22-11-14-25-40(36)44/h6-29H,1-5H3
InChIKeyOOSHISLMCUNJBZ-UHFFFAOYSA-N
XLogP11.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.80
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679140
N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 23150330
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]fluoren-2-amine
CID 176846292
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 176605499
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480618
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175618041
2-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821926
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine (CID 177281251) is N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)C(C)(C)C)cc21.
What is the InChIKey of N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The InChIKey is OOSHISLMCUNJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N/c1-42(2,3)45(33-26-27-37-34-20-9-12-23-38(34)43(4,5)41(37)29-33)32-19-15-18-31(28-32)44(30-16-7-6-8-17-30)39-24-13-10-21-35(39)36-22-11-14-25-40(36)44/h6-29H,1-5H3.
What are the key properties of N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine has a molecular weight of 581.80 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 177281251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).