N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

C145H96N6O7 — CID 163746942

About N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 163746942) has the molecular formula C145H96N6O7 and a molecular weight of 2034.40 g/mol. Its IUPAC name is N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

• Compound Name: N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
• PubChem CID: 163746942
• Molecular Formula: C145H96N6O7
• Molecular Weight: 2034.40 g/mol
• Exact Mass: 2032.73
• IUPAC Name: N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
• SMILES: C=C/C=C\C1=C2COc3cc(-c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4)cc4c5cccc(c5n2c34)O1.CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)cc21
• InChI: InChI=1S/2C51H34N2O2.C43H28N2O3/c1-51(2)42-14-7-6-12-38(42)39-27-26-37(30-43(39)51)52(35-22-18-32(19-23-35)31-10-4-3-5-11-31)36-24-20-33(21-25-36)34-28-41-40-13-8-15-44-48(40)53-49(41)47(29-34)55-46-17-9-16-45(54-44)50(46)53;1-51(2)42-14-7-6-12-38(42)40-30-37(26-27-43(40)51)52(35-22-18-32(19-23-35)31-10-4-3-5-11-31)36-24-20-33(21-25-36)34-28-41-39-13-8-15-44-48(39)53-49(41)47(29-34)55-46-17-9-16-45(54-44)50(46)53;1-2-3-16-37-35-26-46-40-25-28(24-33-31-14-9-19-39(48-37)42(31)45(35)43(33)40)27-20-22-30(23-21-27)44(29-11-5-4-6-12-29)34-15-10-18-38-41(34)32-13-7-8-17-36(32)47-38/h2*3-30H,1-2H3;2-25H,1,26H2/b;;16-3-
• InChIKey: LMRMCRCJVSUXIY-DWVWTFEKSA-N
• XLogP: 39.74
• TPSA: 93.03 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2034.40
LogP ≤ 5	39.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?

The IUPAC name of N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (CID 163746942) is N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.

What is the SMILES notation for N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?

The canonical SMILES for N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is C=C/C=C\C1=C2COc3cc(-c4ccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)cc4)cc4c5cccc(c5n2c34)O1.CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)cc21.

What is the InChIKey of N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?

The InChIKey is LMRMCRCJVSUXIY-DWVWTFEKSA-N. The full InChI is InChI=1S/2C51H34N2O2.C43H28N2O3/c1-51(2)42-14-7-6-12-38(42)39-27-26-37(30-43(39)51)52(35-22-18-32(19-23-35)31-10-4-3-5-11-31)36-24-20-33(21-25-36)34-28-41-40-13-8-15-44-48(40)53-49(41)47(29-34)55-46-17-9-16-45(54-44)50(46)53;1-51(2)42-14-7-6-12-38(42)40-30-37(26-27-43(40)51)52(35-22-18-32(19-23-35)31-10-4-3-5-11-31)36-24-20-33(21-25-36)34-28-41-39-13-8-15-44-48(39)53-49(41)47(29-34)55-46-17-9-16-45(54-44)50(46)53;1-2-3-16-37-35-26-46-40-25-28(24-33-31-14-9-19-39(48-37)42(31)45(35)43(33)40)27-20-22-30(23-21-27)44(29-11-5-4-6-12-29)34-15-10-18-38-41(34)32-13-7-8-17-36(32)47-38/h2*3-30H,1-2H3;2-25H,1,26H2/b;;16-3-.

What are the key properties of N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?

N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 2034.40 g/mol, XLogP of 39.74, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-1-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 163746942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).