N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine

C61H55NO — CID 170038536

IUPACN-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)C2=CCCC=C2c2ccc(C3=C4C=CC=CC4Cc4c3oc3ccc(N(C5=CC=C6c7ccccc7C(C)(C)C6C5)c5ccc6c(c5)C(C)(C)C5C=CC=CC65)cc43)cc21
InChIInChI=1S/C61H55NO/c1-59(2)50-20-12-9-17-42(50)45-27-23-37(32-53(45)59)57-41-16-8-7-15-36(41)31-49-48-33-38(26-30-56(48)63-58(49)57)62(39-24-28-46-43-18-10-13-21-51(43)60(3,4)54(46)34-39)40-25-29-47-44-19-11-14-22-52(44)61(5,6)55(47)35-40/h7-8,10-11,13-30,32-34,36,43,51,55H,9,12,31,35H2,1-6H3
InChIKeyXMNVGCBVCDPPLO-UHFFFAOYSA-N
MW818.12 g/mol
LogP15.46
Rot. Bonds4

About N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine

N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 170038536) has the molecular formula C61H55NO and a molecular weight of 818.12 g/mol. Its IUPAC name is N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine
PubChem CID170038536
Molecular FormulaC61H55NO
Molecular Weight818.12 g/mol
Exact Mass817.43
IUPAC NameN-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)C2=CCCC=C2c2ccc(C3=C4C=CC=CC4Cc4c3oc3ccc(N(C5=CC=C6c7ccccc7C(C)(C)C6C5)c5ccc6c(c5)C(C)(C)C5C=CC=CC65)cc43)cc21
InChIInChI=1S/C61H55NO/c1-59(2)50-20-12-9-17-42(50)45-27-23-37(32-53(45)59)57-41-16-8-7-15-36(41)31-49-48-33-38(26-30-56(48)63-58(49)57)62(39-24-28-46-43-18-10-13-21-51(43)60(3,4)54(46)34-39)40-25-29-47-44-19-11-14-22-52(44)61(5,6)55(47)35-40/h7-8,10-11,13-30,32-34,36,43,51,55H,9,12,31,35H2,1-6H3
InChIKeyXMNVGCBVCDPPLO-UHFFFAOYSA-N
XLogP15.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.12
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine with MolForge

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Related Compounds

N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 142481358
N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine
CID 123599290
5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
CID 134442883
5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-16-(9,9-dimethylfluoren-2-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 70923500
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 167143301
N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 176987223
4-[8-[(8aR)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-5-(9,9-dimethylfluoren-2-yl)-3-phenylquinoxalin-2-yl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline
CID 89177130
2-N-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-6-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89152127
8-dibenzofuran-4-yl-6,6,12,12-tetramethyl-N,N-bis[4-(4-phenylphenyl)phenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-2-amine
CID 122677109
5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 122674931
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine (CID 170038536) is N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine is CC1(C)C2=CCCC=C2c2ccc(C3=C4C=CC=CC4Cc4c3oc3ccc(N(C5=CC=C6c7ccccc7C(C)(C)C6C5)c5ccc6c(c5)C(C)(C)C5C=CC=CC65)cc43)cc21.
What is the InChIKey of N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is XMNVGCBVCDPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H55NO/c1-59(2)50-20-12-9-17-42(50)45-27-23-37(32-53(45)59)57-41-16-8-7-15-36(41)31-49-48-33-38(26-30-56(48)63-58(49)57)62(39-24-28-46-43-18-10-13-21-51(43)60(3,4)54(46)34-39)40-25-29-47-44-19-11-14-22-52(44)61(5,6)55(47)35-40/h7-8,10-11,13-30,32-34,36,43,51,55H,9,12,31,35H2,1-6H3.
What are the key properties of N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine?
N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 818.12 g/mol, XLogP of 15.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-10a,11-dihydronaphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 170038536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).