11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine

C74H52N2O — CID 171050979

IUPAC11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine
SMILESCc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)c(-c5ccccc5)c4)c4ccccc4C)c4oc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C74H52N2O/c1-47-39-41-53(43-60(47)50-24-7-4-8-25-50)75(52-28-11-6-12-29-52)67-45-64-70(58-33-15-14-32-57(58)67)72-65(74(64)62-35-19-16-30-55(62)56-31-17-20-36-63(56)74)46-68(73-71(72)59-34-18-22-38-69(59)77-73)76(66-37-21-13-23-49(66)3)54-42-40-48(2)61(44-54)51-26-9-5-10-27-51/h4-46H,1-3H3
InChIKeyYLUUNRPVJGVJKE-UHFFFAOYSA-N
MW985.24 g/mol
LogP20.28
Rot. Bonds8

About 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine

11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine (PubChem CID 171050979) has the molecular formula C74H52N2O and a molecular weight of 985.24 g/mol. Its IUPAC name is 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine.

Molecular Properties

Compound Name11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine
PubChem CID171050979
Molecular FormulaC74H52N2O
Molecular Weight985.24 g/mol
Exact Mass984.41
IUPAC Name11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine
SMILESCc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)c(-c5ccccc5)c4)c4ccccc4C)c4oc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C74H52N2O/c1-47-39-41-53(43-60(47)50-24-7-4-8-25-50)75(52-28-11-6-12-29-52)67-45-64-70(58-33-15-14-32-57(58)67)72-65(74(64)62-35-19-16-30-55(62)56-31-17-20-36-63(56)74)46-68(73-71(72)59-34-18-22-38-69(59)77-73)76(66-37-21-13-23-49(66)3)54-42-40-48(2)61(44-54)51-26-9-5-10-27-51/h4-46H,1-3H3
InChIKeyYLUUNRPVJGVJKE-UHFFFAOYSA-N
XLogP20.28
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.24
LogP ≤ 520.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine with MolForge

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Related Compounds

CID 134561072
CID 134561072
N-(9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
CID 122504098
12-N-[4-methyl-3-(4-methylphenyl)phenyl]-18-N-[4-methyl-3-(4-methylphenyl)-2-phenylphenyl]-12-N,18-N-bis(4-propan-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 156556268
9-N',15-N'-di(dibenzofuran-4-yl)-9-N',15-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137493854
12-N-(4-tert-butylphenyl)-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,18-N-diphenyl-12-N,18-N-bis(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N-naphthalen-2-yl-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 163642963
3-N',3-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775239
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444420
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzofuran-1-amine
CID 140962533
12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163677288
5-N'-[3-[3-(2-methyl-N-[5'-(N-(2-methylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yl]anilino)phenyl]phenyl]-5-N',22-N'-bis(3-methylphenyl)-22-N'-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',22'-diamine
CID 137492846

Frequently Asked Questions

What is the IUPAC name of 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine?
The IUPAC name of 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine (CID 171050979) is 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine.
What is the SMILES notation for 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine?
The canonical SMILES for 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine is Cc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)c(-c5ccccc5)c4)c4ccccc4C)c4oc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1-c1ccccc1.
What is the InChIKey of 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine?
The InChIKey is YLUUNRPVJGVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2O/c1-47-39-41-53(43-60(47)50-24-7-4-8-25-50)75(52-28-11-6-12-29-52)67-45-64-70(58-33-15-14-32-57(58)67)72-65(74(64)62-35-19-16-30-55(62)56-31-17-20-36-63(56)74)46-68(73-71(72)59-34-18-22-38-69(59)77-73)76(66-37-21-13-23-49(66)3)54-42-40-48(2)61(44-54)51-26-9-5-10-27-51/h4-46H,1-3H3.
What are the key properties of 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine?
11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine has a molecular weight of 985.24 g/mol, XLogP of 20.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-(2-methylphenyl)-11-N,17-N-bis(4-methyl-3-phenylphenyl)-17-N-phenylspiro[9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-14,9'-fluorene]-11,17-diamine is sourced from PubChem (CID 171050979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).