7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine

C45H43N — CID 174309728

IUPAC7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine
SMILESCc1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)c2ccccc2c1
InChIInChI=1S/C45H43N/c1-28-23-29-13-9-10-14-33(29)42(24-28)46(31-18-21-36-34-15-11-12-16-38(34)44(5,6)40(36)26-31)32-19-22-37-35-20-17-30(43(2,3)4)25-39(35)45(7,8)41(37)27-32/h9-27H,1-8H3
InChIKeyYZOUJYVXMTWFJP-UHFFFAOYSA-N
MW597.85 g/mol
LogP12.53
Rot. Bonds3

About 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine

7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine (PubChem CID 174309728) has the molecular formula C45H43N and a molecular weight of 597.85 g/mol. Its IUPAC name is 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

Compound Name7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine
PubChem CID174309728
Molecular FormulaC45H43N
Molecular Weight597.85 g/mol
Exact Mass597.34
IUPAC Name7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine
SMILESCc1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)c2ccccc2c1
InChIInChI=1S/C45H43N/c1-28-23-29-13-9-10-14-33(29)42(24-28)46(31-18-21-36-34-15-11-12-16-38(34)44(5,6)40(36)26-31)32-19-22-37-35-20-17-30(43(2,3)4)25-39(35)45(7,8)41(37)27-32/h9-27H,1-8H3
InChIKeyYZOUJYVXMTWFJP-UHFFFAOYSA-N
XLogP12.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.85
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
CID 174308002
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(8-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309727
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 162086645
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 174283536
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-6-[2-[7-[(9,9-dimethylfluoren-2-yl)-(4-methylnaphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]-2-methylpropyl]-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 174309744
N-(9,9-dimethylfluoren-2-yl)-N-[7-[(E)-2-[7-[(E)-2-[7-[(9,9-dimethylfluoren-2-yl)-phenanthren-9-ylamino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenanthren-9-amine
CID 59246566
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine?
The IUPAC name of 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine (CID 174309728) is 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine.
What is the SMILES notation for 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine?
The canonical SMILES for 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine is Cc1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)C)ccc2-3)c2ccccc2c1.
What is the InChIKey of 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine?
The InChIKey is YZOUJYVXMTWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H43N/c1-28-23-29-13-9-10-14-33(29)42(24-28)46(31-18-21-36-34-15-11-12-16-38(34)44(5,6)40(36)26-31)32-19-22-37-35-20-17-30(43(2,3)4)25-39(35)45(7,8)41(37)27-32/h9-27H,1-8H3.
What are the key properties of 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine?
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine has a molecular weight of 597.85 g/mol, XLogP of 12.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 174309728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).