7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine

C75H47N3O2 — CID 149380745

IUPAC7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine
SMILESCc1cccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4cccc(C)c4)c4ccc5c(c4)oc4ccccc45)c4c5cccc6c7ccccc7n(c4c2-3)c65)c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C75H47N3O2/c1-44-16-13-18-46(38-44)76(49-32-35-56-54-23-6-11-30-67(54)79-69(56)41-49)48-34-37-59-63(40-48)75(61-27-8-3-20-51(61)52-21-4-9-28-62(52)75)64-43-66(72-60-26-15-25-58-53-22-5-10-29-65(53)78(73(58)60)74(72)71(59)64)77(47-19-14-17-45(2)39-47)50-33-36-57-55-24-7-12-31-68(55)80-70(57)42-50/h3-43H,1-2H3
InChIKeyYLPGYYLJWTVPOL-UHFFFAOYSA-N
MW1022.22 g/mol
LogP20.54
Rot. Bonds6

About 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine

7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine (PubChem CID 149380745) has the molecular formula C75H47N3O2 and a molecular weight of 1022.22 g/mol. Its IUPAC name is 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine.

Molecular Properties

Compound Name7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine
PubChem CID149380745
Molecular FormulaC75H47N3O2
Molecular Weight1022.22 g/mol
Exact Mass1021.37
IUPAC Name7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine
SMILESCc1cccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4cccc(C)c4)c4ccc5c(c4)oc4ccccc45)c4c5cccc6c7ccccc7n(c4c2-3)c65)c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C75H47N3O2/c1-44-16-13-18-46(38-44)76(49-32-35-56-54-23-6-11-30-67(54)79-69(56)41-49)48-34-37-59-63(40-48)75(61-27-8-3-20-51(61)52-21-4-9-28-62(52)75)64-43-66(72-60-26-15-25-58-53-22-5-10-29-65(53)78(73(58)60)74(72)71(59)64)77(47-19-14-17-45(2)39-47)50-33-36-57-55-24-7-12-31-68(55)80-70(57)42-50/h3-43H,1-2H3
InChIKeyYLPGYYLJWTVPOL-UHFFFAOYSA-N
XLogP20.54
TPSA37.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.22
LogP ≤ 520.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine with MolForge

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Related Compounds

N-phenyl-N-(4-trimethylsilylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4,6,8,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-13-amine
CID 146929973
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280215
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
5-N-dibenzofuran-3-yl-3-N',3-N',5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775418
3-N'-dibenzofuran-3-yl-3-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775076
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-3-amine
CID 177287705
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
N-dibenzofuran-2-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309200
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062

Frequently Asked Questions

What is the IUPAC name of 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine?
The IUPAC name of 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine (CID 149380745) is 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine.
What is the SMILES notation for 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine?
The canonical SMILES for 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine is Cc1cccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4cccc(C)c4)c4ccc5c(c4)oc4ccccc45)c4c5cccc6c7ccccc7n(c4c2-3)c65)c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine?
The InChIKey is YLPGYYLJWTVPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47N3O2/c1-44-16-13-18-46(38-44)76(49-32-35-56-54-23-6-11-30-67(54)79-69(56)41-49)48-34-37-59-63(40-48)75(61-27-8-3-20-51(61)52-21-4-9-28-62(52)75)64-43-66(72-60-26-15-25-58-53-22-5-10-29-65(53)78(73(58)60)74(72)71(59)64)77(47-19-14-17-45(2)39-47)50-33-36-57-55-24-7-12-31-68(55)80-70(57)42-50/h3-43H,1-2H3.
What are the key properties of 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine?
7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine has a molecular weight of 1022.22 g/mol, XLogP of 20.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,13-N-di(dibenzofuran-3-yl)-7-N,13-N-bis(3-methylphenyl)spiro[1-azaheptacyclo[13.10.1.02,14.03,11.04,9.019,26.020,25]hexacosa-2,4(9),5,7,11,13,15,17,19(26),20,22,24-dodecaene-10,9'-fluorene]-7,13-diamine is sourced from PubChem (CID 149380745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).