N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C67H42N2O — CID 121358652

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc32)cc1
InChIInChI=1S/C67H42N2O/c1-2-16-46(17-3-1)69-60-28-12-7-22-55(60)65-49(23-14-29-61(65)69)44-34-39-48(40-35-44)68(47-37-32-43(33-38-47)45-36-41-64-56(42-45)53-21-8-13-31-63(53)70-64)62-30-15-24-54-52-20-6-11-27-59(52)67(66(54)62)57-25-9-4-18-50(57)51-19-5-10-26-58(51)67/h1-42H
InChIKeyOEOIKQJDYDGVCQ-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.83
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 121358652) has the molecular formula C67H42N2O and a molecular weight of 891.09 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
PubChem CID121358652
Molecular FormulaC67H42N2O
Molecular Weight891.09 g/mol
Exact Mass890.33
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc32)cc1
InChIInChI=1S/C67H42N2O/c1-2-16-46(17-3-1)69-60-28-12-7-22-55(60)65-49(23-14-29-61(65)69)44-34-39-48(40-35-44)68(47-37-32-43(33-38-47)45-36-41-64-56(42-45)53-21-8-13-31-63(53)70-64)62-30-15-24-54-52-20-6-11-27-59(52)67(66(54)62)57-25-9-4-18-50(57)51-19-5-10-26-58(51)67/h1-42H
InChIKeyOEOIKQJDYDGVCQ-UHFFFAOYSA-N
XLogP17.83
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-1-amine
CID 121358600
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358664
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358660
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine;N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 159170916
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358594
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116
N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine
CID 168805442
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
CID 138577308

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 121358652) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine is c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is OEOIKQJDYDGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2O/c1-2-16-46(17-3-1)69-60-28-12-7-22-55(60)65-49(23-14-29-61(65)69)44-34-39-48(40-35-44)68(47-37-32-43(33-38-47)45-36-41-64-56(42-45)53-21-8-13-31-63(53)70-64)62-30-15-24-54-52-20-6-11-27-59(52)67(66(54)62)57-25-9-4-18-50(57)51-19-5-10-26-58(51)67/h1-42H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 891.09 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 121358652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).