2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine

C76H72N2 — CID 89178676

IUPAC2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4ccc5c(c4)C(C)(C)C4=C5CCC=C4)c3c2)cc1
InChIInChI=1S/C76H72N2/c1-73(2,3)51-31-35-55(36-32-51)77(53-21-13-11-14-22-53)57-39-43-63-65(47-57)71(49-29-41-61-59-25-17-19-27-67(59)75(7,8)69(61)45-49)64-44-40-58(78(54-23-15-12-16-24-54)56-37-33-52(34-38-56)74(4,5)6)48-66(64)72(63)50-30-42-62-60-26-18-20-28-68(60)76(9,10)70(62)46-50/h11-17,19-25,27-48,59,67H,18,26H2,1-10H3
InChIKeyUYMWONCLOXSSNA-UHFFFAOYSA-N
MW1013.43 g/mol
LogP21.37
Rot. Bonds8

About 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine

2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine (PubChem CID 89178676) has the molecular formula C76H72N2 and a molecular weight of 1013.43 g/mol. Its IUPAC name is 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
PubChem CID89178676
Molecular FormulaC76H72N2
Molecular Weight1013.43 g/mol
Exact Mass1012.57
IUPAC Name2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4ccc5c(c4)C(C)(C)C4=C5CCC=C4)c3c2)cc1
InChIInChI=1S/C76H72N2/c1-73(2,3)51-31-35-55(36-32-51)77(53-21-13-11-14-22-53)57-39-43-63-65(47-57)71(49-29-41-61-59-25-17-19-27-67(59)75(7,8)69(61)45-49)64-44-40-58(78(54-23-15-12-16-24-54)56-37-33-52(34-38-56)74(4,5)6)48-66(64)72(63)50-30-42-62-60-26-18-20-28-68(60)76(9,10)70(62)46-50/h11-17,19-25,27-48,59,67H,18,26H2,1-10H3
InChIKeyUYMWONCLOXSSNA-UHFFFAOYSA-N
XLogP21.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.43
LogP ≤ 521.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-6-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89152127
N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine
CID 144734094
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
1-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 89111159
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 142481358
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
1-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-[3-[(2E,4Z)-6-methylidene-1-phenyl-1-benzazocin-3-yl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 129300844
N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 167143301
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N,10-pentanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159526206
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 90267790

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine (CID 89178676) is 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4ccc5c(c4)C(C)(C)C4=C5CCC=C4)c3c2)cc1.
What is the InChIKey of 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine?
The InChIKey is UYMWONCLOXSSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H72N2/c1-73(2,3)51-31-35-55(36-32-51)77(53-21-13-11-14-22-53)57-39-43-63-65(47-57)71(49-29-41-61-59-25-17-19-27-67(59)75(7,8)69(61)45-49)64-44-40-58(78(54-23-15-12-16-24-54)56-37-33-52(34-38-56)74(4,5)6)48-66(64)72(63)50-30-42-62-60-26-18-20-28-68(60)76(9,10)70(62)46-50/h11-17,19-25,27-48,59,67H,18,26H2,1-10H3.
What are the key properties of 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine?
2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine has a molecular weight of 1013.43 g/mol, XLogP of 21.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89178676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).