N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)

C126H82N12O4 — CID 161332520

IUPACN-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ncnc5c4oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ncnc5c4oc4ccccc45)ccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)C3CCCCC3N4c3ncnc4c3oc3ccccc34)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C46H34N4O2.2C40H24N4O/c1-2-10-31(11-3-1)49(33-23-25-43-38(27-33)35-13-5-8-16-41(35)51-43)32-21-18-29(19-22-32)30-20-24-40-37(26-30)34-12-4-7-15-39(34)50(40)46-45-44(47-28-48-46)36-14-6-9-17-42(36)52-45;2*1-2-10-27(11-3-1)43-33-15-7-4-12-28(33)31-22-25(18-20-35(31)43)26-19-21-36-32(23-26)29-13-5-8-16-34(29)44(36)40-39-38(41-24-42-40)30-14-6-9-17-37(30)45-39/h1-3,5-6,8-11,13-14,16-28,34,39H,4,7,12,15H2;2*1-24H
InChIKeyVLPNDQZNRMDLSN-UHFFFAOYSA-N
MW1828.12 g/mol
LogP33.06
Rot. Bonds11

About N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)

N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine) (PubChem CID 161332520) has the molecular formula C126H82N12O4 and a molecular weight of 1828.12 g/mol. Its IUPAC name is N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine).

Molecular Properties

Compound NameN-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)
PubChem CID161332520
Molecular FormulaC126H82N12O4
Molecular Weight1828.12 g/mol
Exact Mass1826.66
IUPAC NameN-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ncnc5c4oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ncnc5c4oc4ccccc45)ccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)C3CCCCC3N4c3ncnc4c3oc3ccccc34)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C46H34N4O2.2C40H24N4O/c1-2-10-31(11-3-1)49(33-23-25-43-38(27-33)35-13-5-8-16-41(35)51-43)32-21-18-29(19-22-32)30-20-24-40-37(26-30)34-12-4-7-15-39(34)50(40)46-45-44(47-28-48-46)36-14-6-9-17-42(36)52-45;2*1-2-10-27(11-3-1)43-33-15-7-4-12-28(33)31-22-25(18-20-35(31)43)26-19-21-36-32(23-26)29-13-5-8-16-34(29)44(36)40-39-38(41-24-42-40)30-14-6-9-17-37(30)45-39/h1-3,5-6,8-11,13-14,16-28,34,39H,4,7,12,15H2;2*1-24H
InChIKeyVLPNDQZNRMDLSN-UHFFFAOYSA-N
XLogP33.06
TPSA156.10 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001828.12
LogP ≤ 533.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine) with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163792
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809759

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)?
The IUPAC name of N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine) (CID 161332520) is N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine).
What is the SMILES notation for N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)?
The canonical SMILES for N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine) is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ncnc5c4oc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ncnc5c4oc4ccccc45)ccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)C3CCCCC3N4c3ncnc4c3oc3ccccc34)cc2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)?
The InChIKey is VLPNDQZNRMDLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O2.2C40H24N4O/c1-2-10-31(11-3-1)49(33-23-25-43-38(27-33)35-13-5-8-16-41(35)51-43)32-21-18-29(19-22-32)30-20-24-40-37(26-30)34-12-4-7-15-39(34)50(40)46-45-44(47-28-48-46)36-14-6-9-17-42(36)52-45;2*1-2-10-27(11-3-1)43-33-15-7-4-12-28(33)31-22-25(18-20-35(31)43)26-19-21-36-32(23-26)29-13-5-8-16-34(29)44(36)40-39-38(41-24-42-40)30-14-6-9-17-37(30)45-39/h1-3,5-6,8-11,13-14,16-28,34,39H,4,7,12,15H2;2*1-24H.
What are the key properties of N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine)?
N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine) has a molecular weight of 1828.12 g/mol, XLogP of 33.06, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-([1]benzofuro[3,2-d]pyrimidin-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl]phenyl]-N-phenyldibenzofuran-2-amine;bis(4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine) is sourced from PubChem (CID 161332520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).