N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine

C122H74N6O2 — CID 134433028

IUPACN-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine
SMILESC1=CC2c3c(-c4ccc(-c5cc6oc7c(N(c8cccc9ccccc89)c8cc(-c9ccc%10ccccc%10c9)cc9ccccc89)ccc8c9cc(N%10Cc%11ccc(-c%12ccc%13ccc%14ccccc%14c%13c%12)cc%11-c%11ccccc%11%10)cc%10oc%11cc(-c%12nc%13ccccc%13c%13cc(-c%14cccnc%14)ccc%12%13)cc(c(c5)c6c78)c%11c%109)cn4)cccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C122H74N6O2/c1-2-28-88(29-3-1)127-109-39-17-14-35-98(109)116-97(36-19-41-110(116)127)105-54-51-83(70-124-105)86-62-102-103-63-87(121-96-52-50-80(82-27-20-56-123-69-82)61-101(96)93-33-12-15-37-106(93)125-121)66-113-117(103)118-104(67-89(68-115(118)129-113)126-71-84-49-48-79(60-100(84)94-34-13-16-38-107(94)126)78-47-45-75-44-43-74-23-6-9-30-90(74)99(75)59-78)95-53-55-111(122-120(95)119(102)114(65-86)130-122)128(108-40-18-26-73-22-7-10-31-91(73)108)112-64-85(58-81-25-8-11-32-92(81)112)77-46-42-72-21-4-5-24-76(72)57-77/h1-70,98,109H,71H2/b103-102-,104-95-
InChIKeyPCWPBEMLERIIPK-DQYXGIOSSA-N
MW1655.97 g/mol
LogP33.01
Rot. Bonds11

About N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine

N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine (PubChem CID 134433028) has the molecular formula C122H74N6O2 and a molecular weight of 1655.97 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine
PubChem CID134433028
Molecular FormulaC122H74N6O2
Molecular Weight1655.97 g/mol
Exact Mass1654.59
IUPAC NameN-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine
SMILESC1=CC2c3c(-c4ccc(-c5cc6oc7c(N(c8cccc9ccccc89)c8cc(-c9ccc%10ccccc%10c9)cc9ccccc89)ccc8c9cc(N%10Cc%11ccc(-c%12ccc%13ccc%14ccccc%14c%13c%12)cc%11-c%11ccccc%11%10)cc%10oc%11cc(-c%12nc%13ccccc%13c%13cc(-c%14cccnc%14)ccc%12%13)cc(c(c5)c6c78)c%11c%109)cn4)cccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C122H74N6O2/c1-2-28-88(29-3-1)127-109-39-17-14-35-98(109)116-97(36-19-41-110(116)127)105-54-51-83(70-124-105)86-62-102-103-63-87(121-96-52-50-80(82-27-20-56-123-69-82)61-101(96)93-33-12-15-37-106(93)125-121)66-113-117(103)118-104(67-89(68-115(118)129-113)126-71-84-49-48-79(60-100(84)94-34-13-16-38-107(94)126)78-47-45-75-44-43-74-23-6-9-30-90(74)99(75)59-78)95-53-55-111(122-120(95)119(102)114(65-86)130-122)128(108-40-18-26-73-22-7-10-31-91(73)108)112-64-85(58-81-25-8-11-32-92(81)112)77-46-42-72-21-4-5-24-76(72)57-77/h1-70,98,109H,71H2/b103-102-,104-95-
InChIKeyPCWPBEMLERIIPK-DQYXGIOSSA-N
XLogP33.01
TPSA74.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001655.97
LogP ≤ 533.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine (CID 134433028) is N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine is C1=CC2c3c(-c4ccc(-c5cc6oc7c(N(c8cccc9ccccc89)c8cc(-c9ccc%10ccccc%10c9)cc9ccccc89)ccc8c9cc(N%10Cc%11ccc(-c%12ccc%13ccc%14ccccc%14c%13c%12)cc%11-c%11ccccc%11%10)cc%10oc%11cc(-c%12nc%13ccccc%13c%13cc(-c%14cccnc%14)ccc%12%13)cc(c(c5)c6c78)c%11c%109)cn4)cccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine?
The InChIKey is PCWPBEMLERIIPK-DQYXGIOSSA-N. The full InChI is InChI=1S/C122H74N6O2/c1-2-28-88(29-3-1)127-109-39-17-14-35-98(109)116-97(36-19-41-110(116)127)105-54-51-83(70-124-105)86-62-102-103-63-87(121-96-52-50-80(82-27-20-56-123-69-82)61-101(96)93-33-12-15-37-106(93)125-121)66-113-117(103)118-104(67-89(68-115(118)129-113)126-71-84-49-48-79(60-100(84)94-34-13-16-38-107(94)126)78-47-45-75-44-43-74-23-6-9-30-90(74)99(75)59-78)95-53-55-111(122-120(95)119(102)114(65-86)130-122)128(108-40-18-26-73-22-7-10-31-91(73)108)112-64-85(58-81-25-8-11-32-92(81)112)77-46-42-72-21-4-5-24-76(72)57-77/h1-70,98,109H,71H2/b103-102-,104-95-.
What are the key properties of N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine?
N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine has a molecular weight of 1655.97 g/mol, XLogP of 33.01, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-8-(9-phenanthren-3-yl-6H-phenanthridin-5-yl)-20-[6-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)-3-pyridinyl]-15-(9-pyridin-3-ylphenanthridin-6-yl)-25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-2-amine is sourced from PubChem (CID 134433028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).