11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine

C63H54N2 — CID 130262272

IUPAC11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)ccc4-c4ccccc4-3)c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C63H54N2/c1-39-21-25-47(33-43(39)5)64(48-26-22-40(2)44(6)34-48)51-29-31-57-53-15-9-10-16-54(53)58-32-30-52(65(49-27-23-41(3)45(7)35-49)50-28-24-42(4)46(8)36-50)38-62(58)63(61(57)37-51)59-19-13-11-17-55(59)56-18-12-14-20-60(56)63/h9-38H,1-8H3
InChIKeyRGQSWSNUCQXOIC-UHFFFAOYSA-N
MW839.14 g/mol
LogP17.10
Rot. Bonds6

About 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine

11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine (PubChem CID 130262272) has the molecular formula C63H54N2 and a molecular weight of 839.14 g/mol. Its IUPAC name is 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine.

Molecular Properties

Compound Name11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
PubChem CID130262272
Molecular FormulaC63H54N2
Molecular Weight839.14 g/mol
Exact Mass838.43
IUPAC Name11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)ccc4-c4ccccc4-3)c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C63H54N2/c1-39-21-25-47(33-43(39)5)64(48-26-22-40(2)44(6)34-48)51-29-31-57-53-15-9-10-16-54(53)58-32-30-52(65(49-27-23-41(3)45(7)35-49)50-28-24-42(4)46(8)36-50)38-62(58)63(61(57)37-51)59-19-13-11-17-55(59)56-18-12-14-20-60(56)63/h9-38H,1-8H3
InChIKeyRGQSWSNUCQXOIC-UHFFFAOYSA-N
XLogP17.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.14
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine with MolForge

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Related Compounds

11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130462753
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298477
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
N-(3,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-amine
CID 137493782
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
CID 66807476
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025124

Frequently Asked Questions

What is the IUPAC name of 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?
The IUPAC name of 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine (CID 130262272) is 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine.
What is the SMILES notation for 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?
The canonical SMILES for 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine is Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)ccc4-c4ccccc4-3)c3ccccc3-c3ccccc32)cc1C.
What is the InChIKey of 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?
The InChIKey is RGQSWSNUCQXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N2/c1-39-21-25-47(33-43(39)5)64(48-26-22-40(2)44(6)34-48)51-29-31-57-53-15-9-10-16-54(53)58-32-30-52(65(49-27-23-41(3)45(7)35-49)50-28-24-42(4)46(8)36-50)38-62(58)63(61(57)37-51)59-19-13-11-17-55(59)56-18-12-14-20-60(56)63/h9-38H,1-8H3.
What are the key properties of 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine has a molecular weight of 839.14 g/mol, XLogP of 17.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine is sourced from PubChem (CID 130262272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).