N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine

C63H53NO — CID 166957318

IUPACN-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine
SMILESCC12C=CC=CC1C1(c3cccc(N(c4cccc5oc6ccccc6c45)C4C=CC5=C(C4)C4(C6=CCCC=C6C6C=CC=CC64)C4=C5C=CCC4)c3C3C=CC=CC31)C1C=CC=CC12
InChIInChI=1S/C63H53NO/c1-61-37-15-14-34-58(61)63(51-28-12-11-27-50(51)61)49-26-10-5-21-44(49)59-52(63)29-16-30-54(59)64(55-31-17-33-57-60(55)45-22-6-13-32-56(45)65-57)39-35-36-43-42-20-4-9-25-48(42)62(53(43)38-39)46-23-7-2-18-40(46)41-19-3-8-24-47(41)62/h2,4-7,10-24,26-37,39-40,44,46,49-51,58H,3,8-9,25,38H2,1H3
InChIKeyCEUQUIIBBNLOOG-UHFFFAOYSA-N
MW840.12 g/mol
LogP15.21
Rot. Bonds3

About N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine

N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine (PubChem CID 166957318) has the molecular formula C63H53NO and a molecular weight of 840.12 g/mol. Its IUPAC name is N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine
PubChem CID166957318
Molecular FormulaC63H53NO
Molecular Weight840.12 g/mol
Exact Mass839.41
IUPAC NameN-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine
SMILESCC12C=CC=CC1C1(c3cccc(N(c4cccc5oc6ccccc6c45)C4C=CC5=C(C4)C4(C6=CCCC=C6C6C=CC=CC64)C4=C5C=CCC4)c3C3C=CC=CC31)C1C=CC=CC12
InChIInChI=1S/C63H53NO/c1-61-37-15-14-34-58(61)63(51-28-12-11-27-50(51)61)49-26-10-5-21-44(49)59-52(63)29-16-30-54(59)64(55-31-17-33-57-60(55)45-22-6-13-32-56(45)65-57)39-35-36-43-42-20-4-9-25-48(42)62(53(43)38-39)46-23-7-2-18-40(46)41-19-3-8-24-47(41)62/h2,4-7,10-24,26-37,39-40,44,46,49-51,58H,3,8-9,25,38H2,1H3
InChIKeyCEUQUIIBBNLOOG-UHFFFAOYSA-N
XLogP15.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.12
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine with MolForge

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Related Compounds

N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine
CID 166957290
N-cyclohexa-2,4-dien-1-yl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),18(23),19-decaene]-20'-yldibenzofuran-1-amine
CID 163724663
2-N-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-4-N'-cyclohexa-1,5-dien-1-yl-2-N,4-N'-diphenylspiro[1,2,5,6-tetrahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,4'-diamine
CID 139470380
N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine
CID 155297026
9-dibenzofuran-2-yl-N-[2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)phenyl]-9-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-4b,8a-dihydrofluoren-2-amine
CID 170138429
2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 139470276
3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine
CID 138488855
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-6,9-diphenyl-3,4-dihydrocarbazol-3-amine
CID 163783323
4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine
CID 135218372
6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran
CID 130241074
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine
CID 178089659

Frequently Asked Questions

What is the IUPAC name of N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine?
The IUPAC name of N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine (CID 166957318) is N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine.
What is the SMILES notation for N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine?
The canonical SMILES for N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine is CC12C=CC=CC1C1(c3cccc(N(c4cccc5oc6ccccc6c45)C4C=CC5=C(C4)C4(C6=CCCC=C6C6C=CC=CC64)C4=C5C=CCC4)c3C3C=CC=CC31)C1C=CC=CC12.
What is the InChIKey of N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine?
The InChIKey is CEUQUIIBBNLOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53NO/c1-61-37-15-14-34-58(61)63(51-28-12-11-27-50(51)61)49-26-10-5-21-44(49)59-52(63)29-16-30-54(59)64(55-31-17-33-57-60(55)45-22-6-13-32-56(45)65-57)39-35-36-43-42-20-4-9-25-48(42)62(53(43)38-39)46-23-7-2-18-40(46)41-19-3-8-24-47(41)62/h2,4-7,10-24,26-37,39-40,44,46,49-51,58H,3,8-9,25,38H2,1H3.
What are the key properties of N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine?
N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine has a molecular weight of 840.12 g/mol, XLogP of 15.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine is sourced from PubChem (CID 166957318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).