N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine

C45H39NO — CID 178036901

IUPACN-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
SMILESCC1(C)CC2(CC(C)(C)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc32)c2ccccc21
InChIInChI=1S/C45H39NO/c1-43(2)28-45(38-16-10-9-15-37(38)43)29-44(3,4)40-26-33(23-25-39(40)45)46(32-20-18-31(19-21-32)30-12-6-5-7-13-30)34-22-24-36-35-14-8-11-17-41(35)47-42(36)27-34/h5-27H,28-29H2,1-4H3
InChIKeyWJLFSZXIXLBBRA-UHFFFAOYSA-N
MW609.81 g/mol
LogP12.37
Rot. Bonds4

About N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine

N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine (PubChem CID 178036901) has the molecular formula C45H39NO and a molecular weight of 609.81 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
PubChem CID178036901
Molecular FormulaC45H39NO
Molecular Weight609.81 g/mol
Exact Mass609.30
IUPAC NameN-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
SMILESCC1(C)CC2(CC(C)(C)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc32)c2ccccc21
InChIInChI=1S/C45H39NO/c1-43(2)28-45(38-16-10-9-15-37(38)43)29-44(3,4)40-26-33(23-25-39(40)45)46(32-20-18-31(19-21-32)30-12-6-5-7-13-30)34-22-24-36-35-14-8-11-17-41(35)47-42(36)27-34/h5-27H,28-29H2,1-4H3
InChIKeyWJLFSZXIXLBBRA-UHFFFAOYSA-N
XLogP12.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.81
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
CID 178036941
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169029851
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine (CID 178036901) is N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine is CC1(C)CC2(CC(C)(C)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc32)c2ccccc21.
What is the InChIKey of N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine?
The InChIKey is WJLFSZXIXLBBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39NO/c1-43(2)28-45(38-16-10-9-15-37(38)43)29-44(3,4)40-26-33(23-25-39(40)45)46(32-20-18-31(19-21-32)30-12-6-5-7-13-30)34-22-24-36-35-14-8-11-17-41(35)47-42(36)27-34/h5-27H,28-29H2,1-4H3.
What are the key properties of N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine?
N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine has a molecular weight of 609.81 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine is sourced from PubChem (CID 178036901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).