9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine

C107H75N7 — CID 148853245

About 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine

9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine (PubChem CID 148853245) has the molecular formula C107H75N7 and a molecular weight of 1458.83 g/mol. Its IUPAC name is 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine.

Molecular Properties

• Compound Name: 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine
• PubChem CID: 148853245
• Molecular Formula: C107H75N7
• Molecular Weight: 1458.83 g/mol
• Exact Mass: 1457.61
• IUPAC Name: 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine
• SMILES: C=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4c(CCn5c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6c6cc(N(c7ccccc7)c7ccc8ccc9cccc%10ccc7c8c9%10)ccc65)cccc43)cc2)cc1
• InChI: InChI=1S/C107H75N7/c1-3-24-87-88-35-13-17-39-99(88)112(95(87)4-2)81-55-49-78(50-56-81)109(79-51-57-82(58-52-79)113-100-40-18-14-36-89(100)90-37-15-19-41-101(90)113)80-53-59-83(60-54-80)114-102-42-20-16-38-91(102)106-74(29-23-44-104(106)114)67-68-108-96-65-61-84(110(76-30-7-5-8-31-76)98-43-22-26-71-25-11-12-34-86(71)98)69-93(96)94-70-85(62-66-97(94)108)111(77-32-9-6-10-33-77)103-64-48-75-46-45-72-27-21-28-73-47-63-92(103)107(75)105(72)73/h3-66,69-70H,2,67-68H2,1H3/b24-3-
• InChIKey: OXWFFGJPTRWHEV-VJVWGREKSA-N
• XLogP: 29.31
• TPSA: 29.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1458.83
LogP ≤ 5	29.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine?

The IUPAC name of 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine (CID 148853245) is 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine.

What is the SMILES notation for 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine?

The canonical SMILES for 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine is C=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4c(CCn5c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6c6cc(N(c7ccccc7)c7ccc8ccc9cccc%10ccc7c8c9%10)ccc65)cccc43)cc2)cc1.

What is the InChIKey of 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine?

The InChIKey is OXWFFGJPTRWHEV-VJVWGREKSA-N. The full InChI is InChI=1S/C107H75N7/c1-3-24-87-88-35-13-17-39-99(88)112(95(87)4-2)81-55-49-78(50-56-81)109(79-51-57-82(58-52-79)113-100-40-18-14-36-89(100)90-37-15-19-41-101(90)113)80-53-59-83(60-54-80)114-102-42-20-16-38-91(102)106-74(29-23-44-104(106)114)67-68-108-96-65-61-84(110(76-30-7-5-8-31-76)98-43-22-26-71-25-11-12-34-86(71)98)69-93(96)94-70-85(62-66-97(94)108)111(77-32-9-6-10-33-77)103-64-48-75-46-45-72-27-21-28-73-47-63-92(103)107(75)105(72)73/h3-66,69-70H,2,67-68H2,1H3/b24-3-.

What are the key properties of 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine?

9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine has a molecular weight of 1458.83 g/mol, XLogP of 29.31, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[9-[4-(4-carbazol-9-yl-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]anilino)phenyl]carbazol-4-yl]ethyl]-6-N-naphthalen-1-yl-3-N,6-N-diphenyl-3-N-pyren-1-ylcarbazole-3,6-diamine is sourced from PubChem (CID 148853245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).