N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine

C54H40N2O — CID 67964581

IUPACN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C54H40N2O/c1-53(2)44-19-9-5-14-36(44)37-27-24-33(30-45(37)53)55(50-22-13-18-43-42-17-8-12-23-51(42)57-52(43)50)34-25-28-38-39-29-26-35(32-47(39)54(3,4)46(38)31-34)56-48-20-10-6-15-40(48)41-16-7-11-21-49(41)56/h5-32H,1-4H3
InChIKeyFYCPPZQDHKOAJS-UHFFFAOYSA-N
MW732.93 g/mol
LogP14.77
Rot. Bonds4

About N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine (PubChem CID 67964581) has the molecular formula C54H40N2O and a molecular weight of 732.93 g/mol. Its IUPAC name is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
PubChem CID67964581
Molecular FormulaC54H40N2O
Molecular Weight732.93 g/mol
Exact Mass732.31
IUPAC NameN-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C54H40N2O/c1-53(2)44-19-9-5-14-36(44)37-27-24-33(30-45(37)53)55(50-22-13-18-43-42-17-8-12-23-51(42)57-52(43)50)34-25-28-38-39-29-26-35(32-47(39)54(3,4)46(38)31-34)56-48-20-10-6-15-40(48)41-16-7-11-21-49(41)56/h5-32H,1-4H3
InChIKeyFYCPPZQDHKOAJS-UHFFFAOYSA-N
XLogP14.77
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-dibenzothiophen-2-yldibenzofuran-4-amine
CID 121329664
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 71038532
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
7-carbazol-9-yl-N-[4-[3-[3-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 88848908
N-[4-[24-dibenzofuran-2-yl-15-(9,9-dimethylfluoren-2-yl)-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651753
N-dibenzofuran-4-yl-9-[17'-[9',9'-dimethyl-6'-(N-(4-phenylphenyl)anilino)spiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-2-yl]-9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene]-6'-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167117957
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6-ethenyldibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 58568949
5-N,16-N-di(dibenzofuran-4-yl)-5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633431
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-amine
CID 167166873

Frequently Asked Questions

What is the IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine (CID 67964581) is N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccccc65)ccc3-4)c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
The InChIKey is FYCPPZQDHKOAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O/c1-53(2)44-19-9-5-14-36(44)37-27-24-33(30-45(37)53)55(50-22-13-18-43-42-17-8-12-23-51(42)57-52(43)50)34-25-28-38-39-29-26-35(32-47(39)54(3,4)46(38)31-34)56-48-20-10-6-15-40(48)41-16-7-11-21-49(41)56/h5-32H,1-4H3.
What are the key properties of N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine?
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine has a molecular weight of 732.93 g/mol, XLogP of 14.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 67964581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).