N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine

C63H39NO2 — CID 155645010

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3ccc4oc6cc7ccccc7cc6c4c35)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H39NO2/c1-4-15-40(16-5-1)41-27-30-48(31-28-41)64(55-26-14-25-54-60(55)50-23-12-13-24-53(50)63(54,46-19-6-2-7-20-46)47-21-8-3-9-22-47)49-32-29-44-37-52-59(39-45(44)35-49)66-57-34-33-56-61(62(52)57)51-36-42-17-10-11-18-43(42)38-58(51)65-56/h1-39H
InChIKeyDPBXIVFINRMPHV-UHFFFAOYSA-N
MW842.01 g/mol
LogP17.29
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine

N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine (PubChem CID 155645010) has the molecular formula C63H39NO2 and a molecular weight of 842.01 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine
PubChem CID155645010
Molecular FormulaC63H39NO2
Molecular Weight842.01 g/mol
Exact Mass841.30
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3ccc4oc6cc7ccccc7cc6c4c35)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H39NO2/c1-4-15-40(16-5-1)41-27-30-48(31-28-41)64(55-26-14-25-54-60(55)50-23-12-13-24-53(50)63(54,46-19-6-2-7-20-46)47-21-8-3-9-22-47)49-32-29-44-37-52-59(39-45(44)35-49)66-57-34-33-56-61(62(52)57)51-36-42-17-10-11-18-43(42)38-58(51)65-56/h1-39H
InChIKeyDPBXIVFINRMPHV-UHFFFAOYSA-N
XLogP17.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.01
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine with MolForge

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Related Compounds

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CID 166031981
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CID 169019576
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N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine (CID 155645010) is N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine is c1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)oc3ccc4oc6cc7ccccc7cc6c4c35)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine?
The InChIKey is DPBXIVFINRMPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NO2/c1-4-15-40(16-5-1)41-27-30-48(31-28-41)64(55-26-14-25-54-60(55)50-23-12-13-24-53(50)63(54,46-19-6-2-7-20-46)47-21-8-3-9-22-47)49-32-29-44-37-52-59(39-45(44)35-49)66-57-34-33-56-61(62(52)57)51-36-42-17-10-11-18-43(42)38-58(51)65-56/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine has a molecular weight of 842.01 g/mol, XLogP of 17.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21,23,25,27-tridecaen-8-amine is sourced from PubChem (CID 155645010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).