N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine

C165H107N3O2 — CID 167566203

IUPACN-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C61H41N.2C52H33NO/c1-3-17-42(18-4-1)43-31-35-46(36-32-43)62(48-39-40-55-53-25-10-9-23-51(53)49-21-7-8-22-50(49)52-24-11-12-26-54(52)58(55)41-48)47-37-33-45(34-38-47)61(44-19-5-2-6-20-44)59-29-15-13-27-56(59)57-28-14-16-30-60(57)61;1-2-14-39-34(12-1)13-11-22-40(39)35-24-26-36(27-25-35)53(38-29-31-49-48-21-9-10-23-51(48)54-52(49)33-38)37-28-30-47-45-19-6-5-17-43(45)41-15-3-4-16-42(41)44-18-7-8-20-46(44)50(47)32-37;1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)53(40-28-30-49-48-19-9-10-20-51(48)54-52(49)33-40)39-27-29-47-45-17-6-5-15-43(45)41-13-3-4-14-42(41)44-16-7-8-18-46(44)50(47)32-39/h1-41H;2*1-33H/b51-49-,52-50-,55-53-,58-54-;2*43-41-,44-42-,47-45-,50-46-
InChIKeyFHWJIKNJOJKAPE-NYXPVAJPSA-N
MW2163.69 g/mol
LogP45.88
Rot. Bonds14

About N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine

N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine (PubChem CID 167566203) has the molecular formula C165H107N3O2 and a molecular weight of 2163.69 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
PubChem CID167566203
Molecular FormulaC165H107N3O2
Molecular Weight2163.69 g/mol
Exact Mass2161.84
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2
InChIInChI=1S/C61H41N.2C52H33NO/c1-3-17-42(18-4-1)43-31-35-46(36-32-43)62(48-39-40-55-53-25-10-9-23-51(53)49-21-7-8-22-50(49)52-24-11-12-26-54(52)58(55)41-48)47-37-33-45(34-38-47)61(44-19-5-2-6-20-44)59-29-15-13-27-56(59)57-28-14-16-30-60(57)61;1-2-14-39-34(12-1)13-11-22-40(39)35-24-26-36(27-25-35)53(38-29-31-49-48-21-9-10-23-51(48)54-52(49)33-38)37-28-30-47-45-19-6-5-17-43(45)41-15-3-4-16-42(41)44-18-7-8-20-46(44)50(47)32-37;1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)53(40-28-30-49-48-19-9-10-20-51(48)54-52(49)33-40)39-27-29-47-45-17-6-5-15-43(45)41-13-3-4-14-42(41)44-16-7-8-18-46(44)50(47)32-39/h1-41H;2*1-33H/b51-49-,52-50-,55-53-,58-54-;2*43-41-,44-42-,47-45-,50-46-
InChIKeyFHWJIKNJOJKAPE-NYXPVAJPSA-N
XLogP45.88
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms170
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002163.69
LogP ≤ 545.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine (CID 167566203) is N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine is c1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc1-c1ccccc1-2.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine?
The InChIKey is FHWJIKNJOJKAPE-NYXPVAJPSA-N. The full InChI is InChI=1S/C61H41N.2C52H33NO/c1-3-17-42(18-4-1)43-31-35-46(36-32-43)62(48-39-40-55-53-25-10-9-23-51(53)49-21-7-8-22-50(49)52-24-11-12-26-54(52)58(55)41-48)47-37-33-45(34-38-47)61(44-19-5-2-6-20-44)59-29-15-13-27-56(59)57-28-14-16-30-60(57)61;1-2-14-39-34(12-1)13-11-22-40(39)35-24-26-36(27-25-35)53(38-29-31-49-48-21-9-10-23-51(48)54-52(49)33-38)37-28-30-47-45-19-6-5-17-43(45)41-15-3-4-16-42(41)44-18-7-8-20-46(44)50(47)32-37;1-2-12-36-31-37(22-21-34(36)11-1)35-23-25-38(26-24-35)53(40-28-30-49-48-19-9-10-20-51(48)54-52(49)33-40)39-27-29-47-45-17-6-5-15-43(45)41-13-3-4-14-42(41)44-16-7-8-18-46(44)50(47)32-39/h1-41H;2*1-33H/b51-49-,52-50-,55-53-,58-54-;2*43-41-,44-42-,47-45-,50-46-.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine?
N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine has a molecular weight of 2163.69 g/mol, XLogP of 45.88, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine is sourced from PubChem (CID 167566203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).