6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine

C66H42N4 — CID 134309409

IUPAC6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine
SMILESc1ccc2cc(N(c3ccc(-c4cc5cccc6c(-c7ccc(N(c8ccc9ccccc9c8)c8ccc9ccccc9c8)cn7)cc7cccc4c7c56)nc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C66H42N4/c1-5-15-47-35-53(27-23-43(47)11-1)69(54-28-24-44-12-2-6-16-48(44)36-54)57-31-33-63(67-41-57)61-39-51-19-10-22-60-62(40-52-20-9-21-59(61)65(52)66(51)60)64-34-32-58(42-68-64)70(55-29-25-45-13-3-7-17-49(45)37-55)56-30-26-46-14-4-8-18-50(46)38-56/h1-42H
InChIKeyRGKKTFYBNWVGPF-UHFFFAOYSA-N
MW891.09 g/mol
LogP18.26
Rot. Bonds8

About 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine

6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine (PubChem CID 134309409) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine
PubChem CID134309409
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC Name6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine
SMILESc1ccc2cc(N(c3ccc(-c4cc5cccc6c(-c7ccc(N(c8ccc9ccccc9c8)c8ccc9ccccc9c8)cn7)cc7cccc4c7c56)nc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C66H42N4/c1-5-15-47-35-53(27-23-43(47)11-1)69(54-28-24-44-12-2-6-16-48(44)36-54)57-31-33-63(67-41-57)61-39-51-19-10-22-60-62(40-52-20-9-21-59(61)65(52)66(51)60)64-34-32-58(42-68-64)70(55-29-25-45-13-3-7-17-49(45)37-55)56-30-26-46-14-4-8-18-50(46)38-56/h1-42H
InChIKeyRGKKTFYBNWVGPF-UHFFFAOYSA-N
XLogP18.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-6-[2-[4-(N-naphthalen-2-ylanilino)phenyl]-3,4,5,6-tetraphenylphenyl]-N-phenylpyridin-3-amine
CID 102222161
N-naphthalen-2-yl-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-6-phenylpyridin-3-amine
CID 170779313
N,N-bis(4-benzo[f][1,8]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404500
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905
6-phenanthren-9-ylpyridin-3-amine
CID 118552272
N-naphthalen-2-yl-10-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaen-3-amine
CID 118359926
N,N-bis(4-benzo[f][1,7]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404499
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine
CID 164813140
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167182181
N,N-diphenylhexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14(23),15,17,19,21-dodecaen-18-amine
CID 89254263

Frequently Asked Questions

What is the IUPAC name of 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine?
The IUPAC name of 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine (CID 134309409) is 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine.
What is the SMILES notation for 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine?
The canonical SMILES for 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine is c1ccc2cc(N(c3ccc(-c4cc5cccc6c(-c7ccc(N(c8ccc9ccccc9c8)c8ccc9ccccc9c8)cn7)cc7cccc4c7c56)nc3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine?
The InChIKey is RGKKTFYBNWVGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c1-5-15-47-35-53(27-23-43(47)11-1)69(54-28-24-44-12-2-6-16-48(44)36-54)57-31-33-63(67-41-57)61-39-51-19-10-22-60-62(40-52-20-9-21-59(61)65(52)66(51)60)64-34-32-58(42-68-64)70(55-29-25-45-13-3-7-17-49(45)37-55)56-30-26-46-14-4-8-18-50(46)38-56/h1-42H.
What are the key properties of 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine?
6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine has a molecular weight of 891.09 g/mol, XLogP of 18.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine is sourced from PubChem (CID 134309409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).