N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine

C66H50N2O — CID 145271614

IUPACN-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)OC7C=CC=CC87)cc6)c6cccc7c6-c6ccccc6C7(C)C)cc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C66H50N2O/c1-65(2)56-21-12-9-19-51(56)64-57(65)22-14-23-60(64)67(47-33-27-42(28-34-47)44-29-35-50-49-18-10-13-24-62(49)69-63(50)38-44)46-31-25-41(26-32-46)43-30-36-59-53(37-43)54-39-52-48-17-8-11-20-55(48)66(3,4)58(52)40-61(54)68(59)45-15-6-5-7-16-45/h5-40,49,62H,1-4H3
InChIKeyGZQYHLWFCPTTRX-UHFFFAOYSA-N
MW887.14 g/mol
LogP17.17
Rot. Bonds6

About N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine

N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine (PubChem CID 145271614) has the molecular formula C66H50N2O and a molecular weight of 887.14 g/mol. Its IUPAC name is N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
PubChem CID145271614
Molecular FormulaC66H50N2O
Molecular Weight887.14 g/mol
Exact Mass886.39
IUPAC NameN-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)OC7C=CC=CC87)cc6)c6cccc7c6-c6ccccc6C7(C)C)cc5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C66H50N2O/c1-65(2)56-21-12-9-19-51(56)64-57(65)22-14-23-60(64)67(47-33-27-42(28-34-47)44-29-35-50-49-18-10-13-24-62(49)69-63(50)38-44)46-31-25-41(26-32-46)43-30-36-59-53(37-43)54-39-52-48-17-8-11-20-55(48)66(3,4)58(52)40-61(54)68(59)45-15-6-5-7-16-45/h5-40,49,62H,1-4H3
InChIKeyGZQYHLWFCPTTRX-UHFFFAOYSA-N
XLogP17.17
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.14
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine
CID 140910652
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
CID 126702904
N-(9,9-dimethylfluoren-4-yl)-15,15-dimethyl-11-phenyl-N-(4-phenylphenyl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-amine
CID 135273915
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(5-phenylspiro[indeno[1,2-b]carbazole-11,9'-xanthene]-2-yl)phenyl]fluoren-4-amine
CID 118614739
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 158020645
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine;3-[4-[2-(9,9-dimethylfluoren-3-yl)-1-(4-phenylphenyl)ethenyl]phenyl]-9-phenylcarbazole;N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163897873
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 170142818
N-(9,9-dimethylfluoren-4-yl)-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169060749

Frequently Asked Questions

What is the IUPAC name of N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine?
The IUPAC name of N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine (CID 145271614) is N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccc8c(c7)OC7C=CC=CC87)cc6)c6cccc7c6-c6ccccc6C7(C)C)cc5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine?
The InChIKey is GZQYHLWFCPTTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2O/c1-65(2)56-21-12-9-19-51(56)64-57(65)22-14-23-60(64)67(47-33-27-42(28-34-47)44-29-35-50-49-18-10-13-24-62(49)69-63(50)38-44)46-31-25-41(26-32-46)43-30-36-59-53(37-43)54-39-52-48-17-8-11-20-55(48)66(3,4)58(52)40-61(54)68(59)45-15-6-5-7-16-45/h5-40,49,62H,1-4H3.
What are the key properties of N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine?
N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine has a molecular weight of 887.14 g/mol, XLogP of 17.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 145271614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).