N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C63H60B2N2O4 — CID 164787642

IUPACN-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(B7OC(C)(C)C(C)(C)O7)cc6c6cc(B7OC(C)(C)C(C)(C)O7)ccc65)cc4)cc3)cc21
InChIInChI=1S/C63H60B2N2O4/c1-59(2)55-19-15-14-18-51(55)52-35-34-50(40-56(52)59)66(47-28-20-42(21-29-47)41-16-12-11-13-17-41)48-30-22-43(23-31-48)44-24-32-49(33-25-44)67-57-36-26-45(64-68-60(3,4)61(5,6)69-64)38-53(57)54-39-46(27-37-58(54)67)65-70-62(7,8)63(9,10)71-65/h11-40H,1-10H3
InChIKeyZDRXLWNSBFJGFC-UHFFFAOYSA-N
MW930.81 g/mol
LogP14.49
Rot. Bonds8

About N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 164787642) has the molecular formula C63H60B2N2O4 and a molecular weight of 930.81 g/mol. Its IUPAC name is N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID164787642
Molecular FormulaC63H60B2N2O4
Molecular Weight930.81 g/mol
Exact Mass930.47
IUPAC NameN-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(B7OC(C)(C)C(C)(C)O7)cc6c6cc(B7OC(C)(C)C(C)(C)O7)ccc65)cc4)cc3)cc21
InChIInChI=1S/C63H60B2N2O4/c1-59(2)55-19-15-14-18-51(55)52-35-34-50(40-56(52)59)66(47-28-20-42(21-29-47)41-16-12-11-13-17-41)48-30-22-43(23-31-48)44-24-32-49(33-25-44)67-57-36-26-45(64-68-60(3,4)61(5,6)69-64)38-53(57)54-39-46(27-37-58(54)67)65-70-62(7,8)63(9,10)71-65/h11-40H,1-10H3
InChIKeyZDRXLWNSBFJGFC-UHFFFAOYSA-N
XLogP14.49
TPSA45.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.81
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine
CID 166590872
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
N-phenyl-N-(4-phenylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 153294243

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 164787642) is N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(B7OC(C)(C)C(C)(C)O7)cc6c6cc(B7OC(C)(C)C(C)(C)O7)ccc65)cc4)cc3)cc21.
What is the InChIKey of N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is ZDRXLWNSBFJGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60B2N2O4/c1-59(2)55-19-15-14-18-51(55)52-35-34-50(40-56(52)59)66(47-28-20-42(21-29-47)41-16-12-11-13-17-41)48-30-22-43(23-31-48)44-24-32-49(33-25-44)67-57-36-26-45(64-68-60(3,4)61(5,6)69-64)38-53(57)54-39-46(27-37-58(54)67)65-70-62(7,8)63(9,10)71-65/h11-40H,1-10H3.
What are the key properties of N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 930.81 g/mol, XLogP of 14.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 164787642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).