N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine

C54H41NO — CID 174261155

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)ccc4c3oc3cc(-c5ccccc5)ccc34)cc21
InChIInChI=1S/C54H41NO/c1-53(2)46-21-13-11-19-40(46)42-27-24-37(32-48(42)53)55(38-25-28-43-41-20-12-14-22-47(41)54(3,4)49(43)33-38)51-39(35-17-9-6-10-18-35)29-30-45-44-26-23-36(31-50(44)56-52(45)51)34-15-7-5-8-16-34/h5-33H,1-4H3
InChIKeyLPEJVQBBGNFMSP-UHFFFAOYSA-N
MW719.93 g/mol
LogP15.00
Rot. Bonds5

About N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine (PubChem CID 174261155) has the molecular formula C54H41NO and a molecular weight of 719.93 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine
PubChem CID174261155
Molecular FormulaC54H41NO
Molecular Weight719.93 g/mol
Exact Mass719.32
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)ccc4c3oc3cc(-c5ccccc5)ccc34)cc21
InChIInChI=1S/C54H41NO/c1-53(2)46-21-13-11-19-40(46)42-27-24-37(32-48(42)53)55(38-25-28-43-41-20-12-14-22-47(41)54(3,4)49(43)33-38)51-39(35-17-9-6-10-18-35)29-30-45-44-26-23-36(31-50(44)56-52(45)51)34-15-7-5-8-16-34/h5-33H,1-4H3
InChIKeyLPEJVQBBGNFMSP-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.93
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167255473
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
CID 177294664
N-(9,9-dimethylfluoren-2-yl)-N,17-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433310
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
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
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(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050377
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
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
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 158377953

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine (CID 174261155) is N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)ccc4c3oc3cc(-c5ccccc5)ccc34)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine?
The InChIKey is LPEJVQBBGNFMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO/c1-53(2)46-21-13-11-19-40(46)42-27-24-37(32-48(42)53)55(38-25-28-43-41-20-12-14-22-47(41)54(3,4)49(43)33-38)51-39(35-17-9-6-10-18-35)29-30-45-44-26-23-36(31-50(44)56-52(45)51)34-15-7-5-8-16-34/h5-33H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine has a molecular weight of 719.93 g/mol, XLogP of 15.00, 5 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)-3,7-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 174261155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).