13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine

C76H65N3 — CID 139573004

IUPAC13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3cc4c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6c7ccc8ccccc8c7n(c4cc3c2)c56)cc1
InChIInChI=1S/C76H65N3/c1-73(2,3)49-25-30-51(31-26-49)77(54-34-37-59-57-19-13-15-21-64(57)75(7,8)66(59)44-54)53-29-23-47-42-63-61-39-40-68(70-62-36-24-46-17-11-12-18-56(46)71(62)79(72(61)70)69(63)43-48(47)41-53)78(52-32-27-50(28-33-52)74(4,5)6)55-35-38-60-58-20-14-16-22-65(58)76(9,10)67(60)45-55/h11-45H,1-10H3
InChIKeyOOPHNNGFTZBITD-UHFFFAOYSA-N
MW1020.38 g/mol
LogP21.29
Rot. Bonds6

About 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine

13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine (PubChem CID 139573004) has the molecular formula C76H65N3 and a molecular weight of 1020.38 g/mol. Its IUPAC name is 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine.

Molecular Properties

Compound Name13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine
PubChem CID139573004
Molecular FormulaC76H65N3
Molecular Weight1020.38 g/mol
Exact Mass1019.52
IUPAC Name13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3cc4c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6c7ccc8ccccc8c7n(c4cc3c2)c56)cc1
InChIInChI=1S/C76H65N3/c1-73(2,3)49-25-30-51(31-26-49)77(54-34-37-59-57-19-13-15-21-64(57)75(7,8)66(59)44-54)53-29-23-47-42-63-61-39-40-68(70-62-36-24-46-17-11-12-18-56(46)71(62)79(72(61)70)69(63)43-48(47)41-53)78(52-32-27-50(28-33-52)74(4,5)6)55-35-38-60-58-20-14-16-22-65(58)76(9,10)67(60)45-55/h11-45H,1-10H3
InChIKeyOOPHNNGFTZBITD-UHFFFAOYSA-N
XLogP21.29
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.38
LogP ≤ 521.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine with MolForge

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Related Compounds

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N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
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23-tert-butyl-9-N,27-N-bis(9,9-dimethylfluoren-2-yl)-9-N,27-N-diphenyl-6-oxa-19-azaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.020,25.026,30]triaconta-1(30),2(18),3,5(13),7(12),8,10,14,16,20(25),21,23,26,28-tetradecaene-9,27-diamine
CID 164840340
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
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N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893084
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine
CID 161230090
N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine
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2-N,6-N-bis(4-tert-butylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N,10-pentanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159526206
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-1,9-diphenylcarbazol-2-amine
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7-N,18-N-bis(4-tert-butylphenyl)-27,27-dimethyl-7-N,18-N-diphenyl-13-thia-1-azaoctacyclo[13.13.1.02,14.03,12.05,10.019,29.020,28.021,26]nonacosa-2(14),3(12),4,6,8,10,15(29),16,18,20(28),21,23,25-tridecaene-7,18-diamine
CID 165082432
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732

Frequently Asked Questions

What is the IUPAC name of 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine?
The IUPAC name of 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine (CID 139573004) is 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine.
What is the SMILES notation for 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine?
The canonical SMILES for 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3cc4c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6c7ccc8ccccc8c7n(c4cc3c2)c56)cc1.
What is the InChIKey of 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine?
The InChIKey is OOPHNNGFTZBITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H65N3/c1-73(2,3)49-25-30-51(31-26-49)77(54-34-37-59-57-19-13-15-21-64(57)75(7,8)66(59)44-54)53-29-23-47-42-63-61-39-40-68(70-62-36-24-46-17-11-12-18-56(46)71(62)79(72(61)70)69(63)43-48(47)41-53)78(52-32-27-50(28-33-52)74(4,5)6)55-35-38-60-58-20-14-16-22-65(58)76(9,10)67(60)45-55/h11-45H,1-10H3.
What are the key properties of 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine?
13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine has a molecular weight of 1020.38 g/mol, XLogP of 21.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-N,22-N-bis(4-tert-butylphenyl)-13-N,22-N-bis(9,9-dimethylfluoren-2-yl)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-13,22-diamine is sourced from PubChem (CID 139573004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).