N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine

C44H35NO — CID 90360978

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine
SMILESC=Cc1ccc2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12
InChIInChI=1S/C44H35NO/c1-6-27-15-19-35-36-22-18-30(26-42(36)46-41(35)23-27)45(28-16-20-33-31-11-7-9-13-37(31)43(2,3)39(33)24-28)29-17-21-34-32-12-8-10-14-38(32)44(4,5)40(34)25-29/h6-26H,1H2,2-5H3
InChIKeyHIARDIJAXNIKJH-UHFFFAOYSA-N
MW593.77 g/mol
LogP12.31
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine (PubChem CID 90360978) has the molecular formula C44H35NO and a molecular weight of 593.77 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine
PubChem CID90360978
Molecular FormulaC44H35NO
Molecular Weight593.77 g/mol
Exact Mass593.27
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine
SMILESC=Cc1ccc2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12
InChIInChI=1S/C44H35NO/c1-6-27-15-19-35-36-22-18-30(26-42(36)46-41(35)23-27)45(28-16-20-33-31-11-7-9-13-37(31)43(2,3)39(33)24-28)29-17-21-34-32-12-8-10-14-38(32)44(4,5)40(34)25-29/h6-26H,1H2,2-5H3
InChIKeyHIARDIJAXNIKJH-UHFFFAOYSA-N
XLogP12.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315
N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine
CID 140919877
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
7-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-3-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 160626252
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050430
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429
N-(4-ethenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 23530073
4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
CID 58098593
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine (CID 90360978) is N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine is C=Cc1ccc2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine?
The InChIKey is HIARDIJAXNIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35NO/c1-6-27-15-19-35-36-22-18-30(26-42(36)46-41(35)23-27)45(28-16-20-33-31-11-7-9-13-37(31)43(2,3)39(33)24-28)29-17-21-34-32-12-8-10-14-38(32)44(4,5)40(34)25-29/h6-26H,1H2,2-5H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine has a molecular weight of 593.77 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine is sourced from PubChem (CID 90360978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).