1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine

C80H54N2O2 — CID 168799235

IUPAC1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine
SMILESC1=CCC2C(=C1)C(c1ccccc1)(c1ccc(N(c3cc(-c4ccccc4)c4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)cc1)c1ccccc12
InChIInChI=1S/C80H54N2O2/c1-5-24-53(25-6-1)65-51-60(52-72-78(65)84-75-42-22-21-40-71(75)80(72)69-38-19-15-34-63(69)64-35-16-20-39-70(64)80)81(58-46-44-55(45-47-58)79(54-26-7-2-8-27-54)67-36-17-13-32-61(67)62-33-14-18-37-68(62)79)59-48-49-74-66(50-59)77-73(41-23-43-76(77)83-74)82(56-28-9-3-10-29-56)57-30-11-4-12-31-57/h1-32,34-52,62H,33H2
InChIKeyKUOXRLJUYWTWPQ-UHFFFAOYSA-N
MW1075.32 g/mol
LogP20.98
Rot. Bonds9

About 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine

1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine (PubChem CID 168799235) has the molecular formula C80H54N2O2 and a molecular weight of 1075.32 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine
PubChem CID168799235
Molecular FormulaC80H54N2O2
Molecular Weight1075.32 g/mol
Exact Mass1074.42
IUPAC Name1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine
SMILESC1=CCC2C(=C1)C(c1ccccc1)(c1ccc(N(c3cc(-c4ccccc4)c4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)cc1)c1ccccc12
InChIInChI=1S/C80H54N2O2/c1-5-24-53(25-6-1)65-51-60(52-72-78(65)84-75-42-22-21-40-71(75)80(72)69-38-19-15-34-63(69)64-35-16-20-39-70(64)80)81(58-46-44-55(45-47-58)79(54-26-7-2-8-27-54)67-36-17-13-32-61(67)62-33-14-18-37-68(62)79)59-48-49-74-66(50-59)77-73(41-23-43-76(77)83-74)82(56-28-9-3-10-29-56)57-30-11-4-12-31-57/h1-32,34-52,62H,33H2
InChIKeyKUOXRLJUYWTWPQ-UHFFFAOYSA-N
XLogP20.98
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.32
LogP ≤ 520.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine with MolForge

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Related Compounds

N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 168799178
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine
CID 71249416
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176759710
N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 176759987
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163432313
N-dibenzofuran-1-yl-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;N,N-diphenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;methane;N-naphthalen-1-yl-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine;N-phenyl-6-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 159290929

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine?
The IUPAC name of 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine (CID 168799235) is 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine is C1=CCC2C(=C1)C(c1ccccc1)(c1ccc(N(c3cc(-c4ccccc4)c4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)cc1)c1ccccc12.
What is the InChIKey of 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine?
The InChIKey is KUOXRLJUYWTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N2O2/c1-5-24-53(25-6-1)65-51-60(52-72-78(65)84-75-42-22-21-40-71(75)80(72)69-38-19-15-34-63(69)64-35-16-20-39-70(64)80)81(58-46-44-55(45-47-58)79(54-26-7-2-8-27-54)67-36-17-13-32-61(67)62-33-14-18-37-68(62)79)59-48-49-74-66(50-59)77-73(41-23-43-76(77)83-74)82(56-28-9-3-10-29-56)57-30-11-4-12-31-57/h1-32,34-52,62H,33H2.
What are the key properties of 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine?
1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine has a molecular weight of 1075.32 g/mol, XLogP of 20.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine is sourced from PubChem (CID 168799235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).