8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine

C54H45N — CID 177067780

IUPAC8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
SMILESCc1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1ccccc1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc1-2
InChIInChI=1S/C54H45N/c1-38-35-49-48-37-47(33-34-50(48)54(43-21-13-7-14-22-43,44-23-15-8-16-24-44)52(49)51(36-38)53(2,3)4)55(45-29-25-41(26-30-45)39-17-9-5-10-18-39)46-31-27-42(28-32-46)40-19-11-6-12-20-40/h5-37H,1-4H3
InChIKeyPBZCXLXBKLYHKA-UHFFFAOYSA-N
MW707.96 g/mol
LogP14.46
Rot. Bonds7

About 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine

8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine (PubChem CID 177067780) has the molecular formula C54H45N and a molecular weight of 707.96 g/mol. Its IUPAC name is 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
PubChem CID177067780
Molecular FormulaC54H45N
Molecular Weight707.96 g/mol
Exact Mass707.36
IUPAC Name8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
SMILESCc1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1ccccc1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc1-2
InChIInChI=1S/C54H45N/c1-38-35-49-48-37-47(33-34-50(48)54(43-21-13-7-14-22-43,44-23-15-8-16-24-44)52(49)51(36-38)53(2,3)4)55(45-29-25-41(26-30-45)39-17-9-5-10-18-39)46-31-27-42(28-32-46)40-19-11-6-12-20-40/h5-37H,1-4H3
InChIKeyPBZCXLXBKLYHKA-UHFFFAOYSA-N
XLogP14.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.96
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,11,11-triphenyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-8-amine
CID 170373346
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 166464490
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 118145832
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine (CID 177067780) is 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine is Cc1cc2c(c(C(C)(C)C)c1)C(c1ccccc1)(c1ccccc1)c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc1-2.
What is the InChIKey of 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
The InChIKey is PBZCXLXBKLYHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N/c1-38-35-49-48-37-47(33-34-50(48)54(43-21-13-7-14-22-43,44-23-15-8-16-24-44)52(49)51(36-38)53(2,3)4)55(45-29-25-41(26-30-45)39-17-9-5-10-18-39)46-31-27-42(28-32-46)40-19-11-6-12-20-40/h5-37H,1-4H3.
What are the key properties of 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine?
8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine has a molecular weight of 707.96 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-methyl-9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 177067780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).